SCHEMBL5952484

SCHEMBL5952484

O=Cc1n[nH]cc1C(=O)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
MAPK8 P45983 1/20 0.40
P2RX7 Q99572 1/20 0.39
LMNA P02545 2/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 3/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 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
SCHEMBL13373952 0.90 HPGD (0.38) HPGDLMNA
SCHEMBL1609102 0.78 NPC1 (0.43) HPGDP2RX7LMNAADORA2AADORA1
SCHEMBL5951950 0.75 TAS1R3 (0.41) HPGDMAPK8P2RX7ALDH1A1MEN1
SCHEMBL5951764 0.74 JAK2 (0.37) ADORA2AADORA1NPC1ALDH1A1RAB9A
SCHEMBL875174 0.74 NPC1 (0.40) HPGDMAPK8P2RX7LMNAADORA2A
SCHEMBL5951769 0.74 POLB (0.40) HPGDALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL13373951 0.73 MAPK1 (0.43) HPGDLMNAALDH1A1PKMSMN1; SMN2
SCHEMBL3319032 0.72 HCAR2 (0.38) LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL5358833 0.71 TSHR (0.40) LMNAALDH1A1KMT2AKDM4E
SCHEMBL5952390 0.69 CNR2 (0.39) ADORA2AADORA1ALDH1A1PKML3MBTL1

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 8 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-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 HPGD 1307/4885MAPK8 129/4885P2RX7 792/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HPGD 1623/4885MAPK8 107/4885P2RX7 943/4885

“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.