SCHEMBL14864697

SCHEMBL14864697

CCC(C)(C)Nc1ccc(Br)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 4/20 0.40
VDR P11473 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AR P10275 1/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
MAPT P10636 5/20 0.38
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.36
DHODH Q02127 1/20 0.36
RAB9A P51151 2/20 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
SCHEMBL14864698 0.81 SIGMAR1 (0.45) SIGMAR1ALDH1A1NPSR1NPY1RNPY2R
SCHEMBL18826815 0.79 SMN1; SMN2 (0.49) ALDH1A1VDRARMAPTGAA
SCHEMBL1954939 0.74 KDM4E (0.45) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL19570403 0.73 MAPT (0.54) ALDH1A1MAPTGAARAB9AKDM4E
SCHEMBL10408698 0.73 MAPT (0.49) SIGMAR1ALDH1A1NPSR1NPY1RNPY2R
SCHEMBL4611466 0.70 SIGMAR1 (0.49) SIGMAR1ALDH1A1NPSR1NPY1RNPY2R
SCHEMBL14864696 0.69 ALOX5AP (0.38) VDRAR
SCHEMBL16152761 0.69 AR (0.40) ALDH1A1VDRARMAPTCYP3A4
SCHEMBL10408280 0.69 NPY1R (0.49) ALDH1A1NPY1RNPY2RMAPTCYP1A2
SCHEMBL5225813 0.69 NPY1R (0.49) ALDH1A1NPY1RNPY2RMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 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-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 SIGMAR1 1097/4885ALDH1A1 552/4885VDR 2171/4885

“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.