SCHEMBL1968241

SCHEMBL1968241

O=C(O)c1cncnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.44
CYP46A1 Q9Y6A2 7/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL26081233 0.87 KDM4E (0.45) ALDH1A1KDM4ETDP1CYP3A4LMNA
SCHEMBL30315919 0.86 BCAT2 (0.46) CYP46A1ALDH1A1KDM4ECLK4MEN1
SCHEMBL8577575 0.84 ALDH1A1 (0.44) CYP46A1ATMALDH1A1MEN1KMT2A
SCHEMBL1972138 0.84 GAA (0.47) ALDH1A1KDM4EKMT2AHPGD
SCHEMBL1968017 0.84 KDM4E (0.44) CYP46A1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL6490977 0.84 CSNK2A2 (0.49) ALDH1A1KDM4ETDP1CYP1A2CYP3A4
SCHEMBL1970118 0.82 KMO (0.50) ALDH1A1ALOX15CYP1A2CYP3A4TSHR
SCHEMBL1967237 0.82 KMO (0.50) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL1970072 0.82 KMO (0.50) LDHACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL13531230 0.82 MAPT (0.50) CYP46A1ATMALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
CN-1025556-C Solvent extraction process ICI PLC (GB) 1994-08-03 CN claimed
EP-0332314-B1 SOLVENT EXTRACTION PROCESS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-23 EP claimed
US-4961856-A CONTACTING AQUEOUS SOLUTION CONTAINING PALLADIUM WITH SOLUTION OF SUBSTITUTED HETEROCYCLIC RING COMPOUND IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-09 US claimed
CN-1035851-A SOLVENT EXTRACTION PROCESS ICI PLC (GB) 1989-09-27 CN claimed
EP-0332314-A2 Solvent extraction process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-13 EP claimed
EP-3442965-B1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2021-05-26 EP disclosed
EP-3442965-B1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2021-05-26 EP disclosed
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-11 US disclosed
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-11 US disclosed
EP-3442964-B1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
EP-3442964-B1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
US-4961856-A CONTACTING AQUEOUS SOLUTION CONTAINING PALLADIUM WITH SOLUTION OF SUBSTITUTED HETEROCYCLIC RING COMPOUND IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-09 US disclosed
CN-1035851-A SOLVENT EXTRACTION PROCESS ICI PLC (GB) 1989-09-27 CN disclosed
EP-0332314-A2 Solvent extraction process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-13 EP disclosed
EP-0112617-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-12-30 EP disclosed
US-4581220-A CURED RESIDUE OF ZIRCONIUM SOLUTION IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1986-04-08 US disclosed
US-4576815-A Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1986-03-18 US disclosed
EP-0112617-A1 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-04 EP 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 (1 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-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity HCRTR2, HCRTR1, CNR1 LDHA 2592/4885CYP46A1 419/4885ATM 4856/4885

“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.