SCHEMBL3099342

SCHEMBL3099342

Cn1c(Nc2cc(CNC(=O)C3(C)CC3)ccc2Cl)nc2cc(NC(=O)c3ccc(Br)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.52
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
THRB P10828 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
PABPC1 P11940 1/20 0.40
S100A4 P26447 1/20 0.40
EIF4H Q15056 1/20 0.40
TP53 P04637 2/20 0.39

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
SCHEMBL11963647 0.95 PTGES (0.54) PTGESNPC1RAB9AALDH1A1LMNA
SCHEMBL3099420 0.92 PTGES (0.53) PTGESNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3104295 0.92 PTGES (0.53) PTGESLMNAKMT2AMEN1
SCHEMBL3106295 0.92 PTGES (0.52) PTGESNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11894436 0.89 PTGES (0.53) PTGESNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3111258 0.87 PTGES (0.48) PTGESNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11894503 0.85 PTGES (0.52) PTGESNPC1RAB9ASMN1; SMN2THRB
SCHEMBL3103828 0.85 PTGES (0.56) PTGESNPC1RAB9ALMNAKMT2A
SCHEMBL3103895 0.85 PTGES (0.52) PTGESNPC1RAB9ALMNAKMT2A
SCHEMBL3106112 0.85 PTGES (0.52) PTGESNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 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 (3 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885NPC1 2391/4885RAB9A 1135/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885NPC1 2391/4885RAB9A 1135/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885NPC1 2391/4885RAB9A 1135/4885

“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.