SCHEMBL1095334

SCHEMBL1095334

Cn1nccc1-c1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
COMT P21964 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA1A P35348 3/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
BCL2L1 Q07817 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL18080972 0.82 SMARCA2 (0.59) ALDH1A1MAPTSMARCA2SMARCA4
SCHEMBL320298 0.79 MAPT (0.46) ALDH1A1MAPTCOMTKDM4EHPGD
SCHEMBL16545859 0.78 FLT1 (0.45) ALDH1A1MAPTCOMTKDM4EHPGD
SCHEMBL23087900 0.77 ALDH1A1 (0.54) ALDH1A1MAPTCOMTKDM4EHPGD
SCHEMBL15202358 0.77 COMT (0.43) ALDH1A1MAPTCOMTKDM4EHPGD
SCHEMBL29915105 0.77 ALDH1A1 (0.54) ALDH1A1MAPTCOMTKDM4EHPGD
SCHEMBL29790460 0.77 COMT (0.43) ALDH1A1MAPTCOMTKDM4EHPGD
SCHEMBL28144654 0.77 COMT (0.43) ALDH1A1MAPTCOMTKDM4EADRA1A
SCHEMBL2274673 0.77 EGLN2 (0.44) ALDH1A1MAPTCOMTKDM4EADRA1A
SCHEMBL25258575 0.77 IDO1 (0.44) IDO1ALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-20130338111-A1 Sulfonamide Derivatives ICAGEN, INC. (US) 2013-12-19 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
EP-1303509-B1 BETA3 ADRENERGIC AGONISTS LILLY CO ELI (US) 2012-11-28 EP disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 US disclosed
CN-1441800-A β3Adrenergic agonists LILLY CO ELI (US) 2003-09-10 CN disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 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 (4 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS IDO1 714/4885ALDH1A1 1311/4885MAPT 4022/4885
US-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 IDO1 1006/4885ALDH1A1 1255/4885MAPT 1813/4885
US-20130338111-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 IDO1 3477/4885ALDH1A1 1369/4885MAPT 11/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 IDO1 560/4885ALDH1A1 755/4885MAPT 2096/4885

“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.