SCHEMBL2644992

SCHEMBL2644992

Cc1c([O])cccc1Oc1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
HPGD P15428 2/20 0.40
XBP1 P17861 1/20 0.40
CASP1 P29466 1/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
NFE2L2 Q16236 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
DHFR P00374 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TYR P14679 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
ICAM1 P05362 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
SCHEMBL9483962 0.83 HTR2A (0.47) HPGDHTR2ASLC6A4ALDH1A1MAPK1
SCHEMBL9715727 0.80 GAA (0.46) SLC6A4ALDH1A1MAPK1HTTL3MBTL1
SCHEMBL6895492 0.77 CASP1 (0.39) MCL1HPGDXBP1CASP1HTR2A
SCHEMBL13995152 0.75 ALDH1A1 (0.49) HPGDXBP1CASP1HTR2ASLC6A4
SCHEMBL13160049 0.75 SLC6A4 (0.54) MCL1HPGDXBP1CASP1HTR2A
SCHEMBL14600515 0.74 AR (0.44) MCL1HPGDALDH1A1BCL2BCL2L1
SCHEMBL10334622 0.73 SLC6A4 (0.50) HTR2ASLC6A4L3MBTL1HTR2CHTR2B
SCHEMBL5018840 0.72 XIAP (0.54) HPGDXBP1CASP1HTR2ASLC6A4
SCHEMBL15472269 0.72 HTT (0.73) HPGDXBP1CASP1HTR2ASLC6A4
SCHEMBL4366979 0.71 ALDH1A1 (0.48) ALDH1A1TYRHTTPOLBFNTA

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 4 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
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 MCL1 4845/4885HPGD 3233/4885XBP1 1202/4885

“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.