SCHEMBL2653592

SCHEMBL2653592

COCCOC(=O)c1ccc(Nc2cccc(N3CCN(C(C)=O)CC3)c2)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
PTGER4 P35408 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
MAPK1 P28482 1/20 0.43
CCNT1 O60563 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
EGFR P00533 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CDC25B P30305 1/20 0.39
PKM P14618 1/20 0.39
SETD2 Q9BYW2 1/20 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
SCHEMBL2652470 0.91 HTR1D (0.45) MAPTALDH1A1NPC1PTGER4GAA
SCHEMBL2651673 0.89 PTGER4 (0.45) MAPTALDH1A1NPC1PTGER4GAA
SCHEMBL2651579 0.89 GPR119 (0.44) MAPTALDH1A1NPC1PTGER4GAA
SCHEMBL2662153 0.88 GAA (0.44) MAPTALDH1A1NPC1PTGER4GAA
SCHEMBL2650857 0.88 TSHR (0.43) MAPTALDH1A1NPC1PTGER4GAA
SCHEMBL2651242 0.88 TSHR (0.43) MAPTALDH1A1NPC1PTGER4GAA
SCHEMBL2661919 0.86 NPC1 (0.41) MAPTALDH1A1NPC1PTGER4GAA
SCHEMBL2650623 0.86 MAPT (0.49) MAPTALDH1A1PTGER4GAAMAPK1
SCHEMBL2651430 0.86 PTGER4 (0.43) MAPTALDH1A1NPC1PTGER4GAA
SCHEMBL2650866 0.86 PRMT1 (0.53) MAPTALDH1A1NPC1GAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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 (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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885ALDH1A1 977/4885NPC1 3894/4885

“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.