SCHEMBL2645488

SCHEMBL2645488

CCOC(=O)c1ccc(OCOC)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3897901 0.89 HSD17B2 (0.55) HSD17B2CA12CA1CA2CA7
SCHEMBL3480463 0.87 HSD17B2 (0.59) HSD17B2CA12CA1CA2CA7
SCHEMBL17386157 0.87 NOTUM (0.51) CA12CA1CA2CA7CA9
SCHEMBL334307 0.85 HSD17B2 (0.54) HSD17B2CA12CA1CA2CA7
SCHEMBL670686 0.85 HSD17B2 (0.65) HSD17B2CA12CA1CA2CA7
SCHEMBL18425105 0.84 HSD17B2 (0.64) HSD17B2CA12CA1CA2CA7
SCHEMBL1630042 0.82 HSD17B2 (0.57) HSD17B2CA12CA1CA2CA7
SCHEMBL29888190 0.82 ALDH1A1 (0.51) HPGDALDH1A1LMNAMEN1MAPT
SCHEMBL8133907 0.82 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL18077316 0.82 CA12 (0.48) HSD17B2CA12CA1CA2CA7

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-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
CN-1926127-A Novel 2-heteroaryl substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-03-07 CN disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 HSD17B2 1498/4885CA12 3942/4885CA1 3408/4885

“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.