SCHEMBL6866846

SCHEMBL6866846

COC(=O)[C@H]1Cc2ccccc2CN1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
GAA P10253 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
BLM P54132 1/20 0.46
SMYD3 Q9H7B4 1/20 0.45

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
SCHEMBL29715383 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL32677077 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL1491696 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL1491698 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL29707282 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL30665771 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL10749367 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL8724704 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL14059291 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL27478435 0.85 MEN1 (0.47) KMT2AMEN1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
US-6815440-B2 FOR THERAPY AND PROPHYLAXIS OF DISORDERS IN THE COURSE OF WHICH IS INVOLVED AN INCREASED ACTIVITY OF MATRIX-DEGRADING METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-09 US disclosed
US-20030176432-A1 Cyclic and heterocyclic N-substituted alpha-iminohydroxamic and -carboxylic acids AVENTIS PHARMA DEUTSCHLAND GMBH. 2003-09-18 US disclosed
US-6573277-B2 Metalloproteinase inhibitor HOECHST AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-20010011134-A1 Cyclic and heterocyclic N-substituted alpha-iminohydroxamic and -carboxylic acids HOECHST AKTIENGESELLSCHAFT 2001-08-02 US disclosed
US-6207672-B1 FOR TREATMENT OF CONNECTIVE TISSUE DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-03-27 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-20010011134-A1 Cyclic and heterocyclic N-substituted alpha-iminohydroxamic and -carboxylic acids MMP1, MMP2, HPGD KDM4E 3576/4885ALDH1A1 45/4885CYP1A2 47/4885
US-20030176432-A1 Cyclic and heterocyclic N-substituted alpha-iminohydroxamic and -carboxylic acids MMP1, MMP2, HPGD KDM4E 3576/4885ALDH1A1 45/4885CYP1A2 47/4885

“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.