SCHEMBL3094514

SCHEMBL3094514

CC1(C(=O)NCc2ccc(Cl)c(Nc3nc4cc(C(=O)NC5CCCC5)ccc4[nH]3)c2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
PRSS12 P56730 1/20 0.40
PTGES O14684 3/20 0.39
CNR2 P34972 3/20 0.38
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
SMYD3 Q9H7B4 1/20 0.37
NAMPT P43490 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
EPHX1 P07099 1/20 0.36
IDH1 O75874 1/20 0.36
ACKR3 P25106 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
SCHEMBL11963667 0.94 HPGD (0.40) HTTSMN1; SMN2HPGDPRSS12PTGES
SCHEMBL1727196 0.90 POLB (0.37) HTTSMN1; SMN2HPGDPRSS12PTGES
SCHEMBL11963664 0.89 PTGES (0.43) HTTSMN1; SMN2HPGDPRSS12PTGES
SCHEMBL3101615 0.89 PTGES (0.42) HTTSMN1; SMN2HPGDPRSS12PTGES
SCHEMBL13189731 0.88 MALT1 (0.38) HTTHPGDPRSS12PTGESMAPT
SCHEMBL1726361 0.86 ALDH1A1 (0.39) HTTPTGESRAB9AMAPTNAMPT
SCHEMBL3106173 0.85 HPGD (0.39) SMN1; SMN2HPGDPRSS12CNR2RAB9A
SCHEMBL13190116 0.85 MAPT (0.39) HTTHPGDPTGESRAB9AMAPT
SCHEMBL13190114 0.84 PTGES (0.39) HTTHPGDPRSS12PTGESMAPT
SCHEMBL3099237 0.83 PTGES (0.46) HTTSMN1; SMN2HPGDPTGESCNR2

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 HTT 3771/4885SMN1; SMN2 3747/4885HPGD 2331/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX HTT 3771/4885SMN1; SMN2 3747/4885HPGD 2331/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX HTT 3771/4885SMN1; SMN2 3747/4885HPGD 2331/4885

“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.