SCHEMBL671498

SCHEMBL671498

Sn1cnc2cncnc21.[Au]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LTA4H P09960 1/20 0.35
CYP1A2 P05177 7/20 0.35
ALDH1A1 P00352 6/20 0.35
CYP2C19 P33261 5/20 0.35
CYP3A4 P08684 5/20 0.35
CYP2C9 P11712 5/20 0.35
TSHR P16473 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
USP2 O75604 3/20 0.33
CLK4 Q9HAZ1 2/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28529 0.98 FDPS (0.42) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28659170 0.96 FDPS (0.41) FDPSHDAC1HDAC6LTA4HCYP1A2
Water SCHEMBL316719 0.96 FDPS (0.41) FDPSHDAC1HDAC6LTA4HCYP1A2
Tetrahydrofuran SCHEMBL28855131 0.84 FDPS (0.35) FDPSHDAC1HDAC6LTA4HCYP1A2
Malonic Acid SCHEMBL28513650 0.83 HDAC1 (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28340215 0.74 FDPS (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28763050 0.72 FDPS (0.46) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL7787139 0.72 FDPS (0.42) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28779724 0.72 FDPS (0.42) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL30341176 0.72 GRM5 (0.46) FDPSHDAC1HDAC6LTA4HCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344601-B2 (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2025-07-01 US disclosed
US-20240092769-A1 (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-03-21 US disclosed
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-15 US disclosed
US-20220135554-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-05-05 US disclosed
US-11084810-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2021-08-10 US disclosed
US-20200262830-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2020-08-20 US disclosed
US-10675268-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2020-06-09 US disclosed
EP-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP disclosed
US-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-03 US disclosed
US-10570125-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2020-02-25 US disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
US-20090275611-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 US disclosed
EP-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO disclosed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 FDPS 1879/4885HDAC1 1655/4885HDAC6 1700/4885
US-20200262830-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 FDPS 3189/4885HDAC1 2106/4885HDAC6 2783/4885
US-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 FDPS 766/4885HDAC1 959/4885HDAC6 2714/4885
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 FDPS 3118/4885HDAC1 2077/4885HDAC6 2762/4885
US-20240092769-A1 (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 FDPS 3118/4885HDAC1 2077/4885HDAC6 2762/4885
US-10570125-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 FDPS 3118/4885HDAC1 2077/4885HDAC6 2762/4885
US-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR1, SSTR3 FDPS 3987/4885HDAC1 2029/4885HDAC6 1428/4885
US-20090275611-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, OPRL1 FDPS 3674/4885HDAC1 1222/4885HDAC6 2250/4885
US-11084810-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 FDPS 3118/4885HDAC1 2077/4885HDAC6 2762/4885
US-10675268-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 FDPS 4018/4885HDAC1 1487/4885HDAC6 1892/4885
US-20220135554-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 FDPS 3189/4885HDAC1 2106/4885HDAC6 2783/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX FDPS 1884/4885HDAC1 746/4885HDAC6 460/4885
US-12344601-B2 (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 FDPS 3118/4885HDAC1 2077/4885HDAC6 2762/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.