SCHEMBL6358804

SCHEMBL6358804

Cc1cccc(C(=O)NC(Cc2ccccc2)OCc2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CASP3 P42574 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CAPN1 P07384 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
RECQL P46063 1/20 0.40
MAPT P10636 1/20 0.40
CTSK P43235 1/20 0.40
PSMB5 P28074 1/20 0.40
ACE P12821 1/20 0.39
NPC1 O15118 2/20 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
SCHEMBL28554711 0.84 CTSV (0.45) L3MBTL1CTSVCTSLCTSSGAA
SCHEMBL3400152 0.79 CTRB1 (0.48) CTSLCTSSALDH1A1CYP1A2CYP2C19
SCHEMBL24008797 0.75 CAPN1 (0.60) L3MBTL1CTSVCTSLCTSSCAPN1
SCHEMBL29961554 0.75 CAPN1 (0.60) L3MBTL1CTSVCTSLCTSSCAPN1
SCHEMBL25607328 0.73 NPC1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C19UTS2R
SCHEMBL8561809 0.72 UTS2R (0.42) CTSVCTSLCTSSGAAALDH1A1
SCHEMBL17971091 0.71 ALDH1A1 (0.63) L3MBTL1CASP3SMN1; SMN2ALDH1A1POLB
SCHEMBL5646798 0.70 ALDH1A1 (0.65) L3MBTL1ALDH1A1CYP1A2POLBCYP2C19
SCHEMBL24862898 0.70 NPC1 (0.63) L3MBTL1GAASMN1; SMN2POLBRECQL
SCHEMBL16993893 0.69 L3MBTL1 (0.74) L3MBTL1CTSVCTSLCTSSGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 L3MBTL1 2120/4885CTSV 4830/4885CTSL 4449/4885

“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.