SCHEMBL14864698

SCHEMBL14864698

Cc1cc(Br)ccc1NC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IDO1 P14902 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
DHODH Q02127 1/20 0.40
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
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
KDM4E B2RXH2 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
SCHEMBL14864697 0.81 SIGMAR1 (0.41) SIGMAR1ALDH1A1NPSR1IDO1MAPT
SCHEMBL13788857 0.81 ALOX15 (0.38) ALDH1A1IDO1MEN1KMT2AGAA
SCHEMBL8248081 0.78 RAPGEF4 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL13788839 0.78 ALDH1A1 (0.49) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL10407967 0.78 PTGDR2 (0.39) SIGMAR1ALDH1A1IDO1MAPTMEN1
SCHEMBL1957518 0.78 AAK1 (0.39) SIGMAR1ALDH1A1IDO1MAPTMEN1
SCHEMBL12883439 0.78 LMNA (0.42) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13503241 0.77 TSHR (0.41) ALDH1A1IDO1MAPTMEN1KMT2A
SCHEMBL10082835 0.76 IDO1 (0.42) SIGMAR1ALDH1A1NPSR1IDO1MAPT
SCHEMBL4611466 0.76 SIGMAR1 (0.49) SIGMAR1ALDH1A1NPSR1IDO1MAPT

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 552/4885NPSR1 1320/4885

“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.