SCHEMBL5117761

SCHEMBL5117761

OC(c1ccccc1Br)[C@@H](O)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
HTT P42858 1/20 0.41
CFTR P13569 2/20 0.40
ALDH1A1 P00352 4/20 0.39
OPRL1 P41146 2/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
FAAH O00519 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3372946 1.00 IDO1 (0.43) IDO1TDO2HTTCFTRALDH1A1
SCHEMBL5117680 1.00 IDO1 (0.43) IDO1TDO2HTTCFTRALDH1A1
SCHEMBL3375814 1.00 IDO1 (0.43) IDO1TDO2HTTCFTRALDH1A1
SCHEMBL11604556 1.00 IDO1 (0.43) IDO1TDO2HTTCFTRALDH1A1
SCHEMBL3551469 0.88 HTT (0.43) IDO1TDO2HTTCFTRALDH1A1
SCHEMBL11602065 0.88 IDO1 (0.50) IDO1TDO2ALDH1A1OPRL1CYP2C19
SCHEMBL14473089 0.86 IDO1 (0.36) IDO1TDO2HTTCFTRALDH1A1
SCHEMBL13068680 0.86 IDO1 (0.36) IDO1TDO2HTTCFTRALDH1A1
SCHEMBL8038938 0.86 CFTR (0.46) IDO1TDO2HTTCFTRALDH1A1
SCHEMBL3905463 0.86 IDO1 (0.42) IDO1TDO2HTTCFTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319195-A1 Enantioselective Preparation of Benzimidazole Derivatives and Their Salts RATIOPHARM GMBH (DE) 2008-12-25 US disclosed
US-20080319195-A1 Enantioselective Preparation of Benzimidazole Derivatives and Their Salts RATIOPHARM GMBH (DE) 2008-12-25 US disclosed
US-20080319195-A1 Enantioselective Preparation of Benzimidazole Derivatives and Their Salts RATIOPHARM GMBH (DE) 2008-12-25 US 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-20080319195-A1 Enantioselective Preparation of Benzimidazole Derivatives and Their Salts PPOX, CYP3A4, SLC30A5 IDO1 732/4885TDO2 292/4885HTT 4139/4885

“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.