SCHEMBL12306367

SCHEMBL12306367

O=C(Cl)c1cn2cccc(Br)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
DHODH Q02127 1/20 0.37
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE10A Q9Y233 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL3305733 0.85 PTGS1 (0.56) PTGS1PTGS2NPC1RAB9ADHODH
SCHEMBL18340813 0.83 GRM2 (0.39) PTGS1PTGS2NPC1RAB9ADHODH
SCHEMBL7932606 0.80 PTGS1 (0.36) PTGS1PTGS2NPC1RAB9ADHODH
SCHEMBL117700 0.76 KDM4E (0.58) NPC1RAB9AMAPTCYP1A2RXFP1
SCHEMBL12306368 0.75 KDM4E (0.35) PTGS1PTGS2NPC1RAB9ADHODH
SCHEMBL31683736 0.73 L3MBTL1 (0.34) PTGS1PTGS2DHODHRXFP1ALDH1A1
SCHEMBL31104541 0.73 PDE10A (0.41) NPC1RAB9ADHODHMAPTALDH1A1
SCHEMBL2524283 0.72 PTGS1 (0.72) PTGS1PTGS2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL14837213 0.71 PTGS1 (0.70) PTGS1PTGS2NPC1RAB9AMAPT
SCHEMBL13395689 0.70 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1MAPK1

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
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 US disclosed
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 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-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PTGS1 623/4885PTGS2 1440/4885NPC1 884/4885

“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.