SCHEMBL1034030

SCHEMBL1034030

O=c1c2c(Cl)cccc2cc(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
DCTPP1 Q9H773 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 1/20 0.43
CFTR P13569 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL1034661 0.90 TP53 (0.48) CNR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL1032216 0.89 GRM2 (0.47) CNR1DCTPP1ALDH1A1KDM4EHPGD
SCHEMBL1032976 0.85 CNR1 (0.56) CNR1DCTPP1ALDH1A1KDM4EHPGD
SCHEMBL1033050 0.82 KDM4E (0.43) CNR1ALDH1A1KDM4EHPGDNPSR1
SCHEMBL1034613 0.80 ALDH1A1 (0.56) CNR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL20081377 0.80 BRD4 (0.45) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL1034937 0.79 CNR1 (0.50) CNR1DCTPP1ALDH1A1KDM4EHPGD
SCHEMBL1035227 0.78 CNR1 (0.49) CNR1ALDH1A1HPGDMAPTRAB9A
SCHEMBL14726625 0.77 PIK3CD (0.43) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL28509792 0.77 TSHR (0.46) ALDH1A1KDM4EHPGDLMNASMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 EP claimed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US claimed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US claimed
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP claimed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US claimed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 WO claimed
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 EP disclosed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US disclosed
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP disclosed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US disclosed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 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 (2 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-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents NR1H2, NR1H3, NR1I2 CNR1 78/4885DCTPP1 3260/4885ALDH1A1 601/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 CNR1 125/4885DCTPP1 2698/4885ALDH1A1 415/4885

“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.