SCHEMBL5952390

SCHEMBL5952390

CC(C)(C)OCc1n[nH]cc1C(=O)NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
CNR1 P21554 3/20 0.39
KMT2A Q03164 2/20 0.38
PBK Q96KB5 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4095586 0.81 ENPP2 (0.51) KMT2APOLBALDH1A1KDM4EL3MBTL1
SCHEMBL5951950 0.80 TAS1R3 (0.41) KMT2ATAS1R3TAS1R1TAS1R2POLB
SCHEMBL5952664 0.80 POLB (0.40) CNR1KMT2APOLBALDH1A1KDM4E
SCHEMBL5952936 0.80 ALDH1A1 (0.36) KMT2AALDH1A1ADORA2AADORA1KDM4E
SCHEMBL15705197 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5952397 0.77 USP2 (0.33) ALDH1A1KDM4E
SCHEMBL1609102 0.74 NPC1 (0.43) KMT2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL5952180 0.72 KMT2A (0.42) KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL13374017 0.72 KDM1A (0.40) CNR2
SCHEMBL875174 0.71 NPC1 (0.40) TAS1R3TAS1R1TAS1R2ALDH1A1ADORA2A

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
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 CNR2 3414/4885CNR1 3649/4885KMT2A 1678/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CNR2 3680/4885CNR1 2832/4885KMT2A 1844/4885

“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.