SCHEMBL3631940

SCHEMBL3631940

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 6/20 1.00
▸ KMT2A Q03164 3/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ GAA P10253 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.60
▸ RECQL P46063 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ALDH2 P05091 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ATM Q13315 1/20 0.51

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
SCHEMBL3636000 0.88 GHSR (0.78) GHSRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL29542280 0.82 GAA (0.75) GHSRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL28680137 0.79 MT-CO2 (0.71) GHSRKMT2AMEN1ALDH1A1ALDH2
SCHEMBL6081481 0.77 GHSR (0.76) GHSRKMT2AMEN1GAAALDH1A1
SCHEMBL28709378 0.77 KMT2A (0.69) GHSRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL29493346 0.77 KMT2A (0.69) GHSRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10107742 0.76 ALDH2 (0.77) KMT2AMEN1ALDH1A1ALDH2KDM4E
SCHEMBL28716509 0.74 ALDH2 (0.78) GHSRKMT2AMEN1ALDH1A1RECQL
SCHEMBL503808 0.73 ALDH2 (1.00) KMT2AMEN1ALDH1A1RECQLALDH2
SCHEMBL20830056 0.72 HPGD (0.72) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 — — US claimed
US-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION ABUNON AB (SE) 2010-04-15 — — US disclosed
EP-2155227-A1 NEW TREATMENT FOR CHEMICAL SUBSTANCE ADDICTION Dickson, Suzanne L (SE) 2010-02-24 — — EP disclosed
WO-2009020419-A1 NEW TREATMENT FOR CHEMICAL SUBSTANCE ADDICTION DICKSON SUZANNE L (SE) 2009-02-12 — — WO disclosed
US-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 — — US 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-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators GPR119, GIPR, GLP1R GHSR 5/4885KMT2A 1793/4885MEN1 3388/4885
US-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION GHSR, GHRHR, TRHR GHSR 1/4885KMT2A 1131/4885MEN1 3464/4885

“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.

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