SCHEMBL3098320

SCHEMBL3098320

Cn1c(Nc2cc(CN)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.52
HDAC6 Q9UBN7 5/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 1/20 0.42
RAF1 P04049 3/20 0.41
PRSS12 P56730 1/20 0.41
PLAU P00749 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.41
BRAF P15056 2/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1727314 0.89 PTGES (0.57) PTGESHDAC6MEN1KMT2AATM
SCHEMBL3100459 0.89 PTGES (0.57) PTGESHDAC6MEN1KMT2AATM
SCHEMBL13393497 0.88 HDAC6 (0.50) PTGESHDAC6MEN1KMT2AATM
SCHEMBL13393022 0.88 NPC1 (0.52) PTGESHDAC6MEN1KMT2AATM
SCHEMBL1966107 0.87 HDAC6 (0.52) PTGESHDAC6MEN1KMT2AATM
SCHEMBL13393357 0.87 HDAC6 (0.51) PTGESHDAC6MEN1KMT2AATM
SCHEMBL3106270 0.87 PTGES (0.69) PTGESHDAC6
SCHEMBL11894503 0.86 PTGES (0.52) PTGESHDAC6MEN1KMT2AATM
SCHEMBL11963647 0.85 PTGES (0.54) PTGESHDAC6MEN1KMT2AATM
SCHEMBL3106460 0.84 PTGES (0.59) PTGESHDAC6MEN1KMT2AATM

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 307/4885HDAC6 460/4885MEN1 2565/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885HDAC6 460/4885MEN1 2565/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885HDAC6 460/4885MEN1 2565/4885

“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.