SCHEMBL5952597

SCHEMBL5952597

COc1ccc2c(c1)c(I)nn2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
MAP2K4 P45985 1/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
NQO2 P16083 2/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSL P07711 2/20 0.37
STS P08842 1/20 0.36
GAA P10253 1/20 0.36
CTSB P07858 1/20 0.36
BRD4 O60885 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL15578604 0.90 DYRK1A (0.39) MAP2K4MTNR1AMTNR1BNQO2GABRG2
SCHEMBL5952979 0.86 MAPT (0.39) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL14737311 0.86 MAP2K4 (0.41) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL14737541 0.85 CA12 (0.39) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL14739081 0.84 HTR6 (0.46) ELANEMAP2K4NQO2GABRG2GABRB3
SCHEMBL9952523 0.84 MAP2K4 (0.42) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL24738080 0.83 GABRG2 (0.45) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL3514381 0.83 MAP2K4 (0.43) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL2732559 0.83 CDK1 (0.43) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL15169674 0.83 MAP2K4 (0.43) ELANEMAP2K4GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 ELANE 4051/4885MAP2K4 252/4885MTNR1A 4702/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ELANE 3865/4885MAP2K4 376/4885MTNR1A 4389/4885

“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.