SCHEMBL2652728

SCHEMBL2652728

CSCCOC(=O)c1ccc(Nc2cccc(Cc3ncc[nH]3)c2)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.39
GAA P10253 4/20 0.39
NPC1 O15118 3/20 0.39
GFER P55789 2/20 0.39
BRAF P15056 1/20 0.37
PTGER4 P35408 3/20 0.37
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GLA P06280 1/20 0.34
RCE1 Q9Y256 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 1/20 0.34
HTR2B P41595 2/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL2652144 0.87 MAPT (0.42) NPC1PTGER4KDM4EMAPTALDH1A1
SCHEMBL2652723 0.78 CYP19A1 (0.44) CDC25BGAANPC1GFER
SCHEMBL2650381 0.74 FGFR1 (0.45) NPC1ALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL2651968 0.74 MAPT (0.49) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2652432 0.72 HTR1D (0.41) CDC25BGAANPC1GFERPTGER4
SCHEMBL2653262 0.71 CDC25B (0.58) CDC25BGAANPC1GFERPTGER4
SCHEMBL22360002 0.71 CYP4F2 (0.53) NPC1MAPTALDH1A1HPGDTAAR1
SCHEMBL15319909 0.66 GAA (0.65) CDC25BGAANPC1GFERPTGER4
SCHEMBL2652140 0.66 CYP19A1 (0.44) PTGER4MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2651855 0.64 PRMT1 (0.49) CDC25BGAANPC1GFERPTGER4

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-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
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 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 (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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 CDC25B 3722/4885GAA 2408/4885NPC1 3894/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 CDC25B 3778/4885GAA 2528/4885NPC1 3859/4885

“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.