SCHEMBL3094869

SCHEMBL3094869

CNc1cc(Cl)c(C(=O)NC2CCCC2)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA13 Q8N1Q1 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
CA3 P07451 1/20 0.54
HPGD P15428 3/20 0.52
TSHR P16473 1/20 0.46
HTR4 Q13639 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL15385121 0.85 NPC1 (0.59) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL13190086 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL12495152 0.83 NPC1 (0.61) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL12494123 0.82 HPGD (0.57) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL11688371 0.80 NPC1 (0.67) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL12494920 0.80 HPGD (0.52) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL1728088 0.80 NPC1 (0.52) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL12495039 0.79 HPGD (0.66) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL15385123 0.77 NPC1 (0.59) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL11631231 0.74 RAB9A (0.68) RAB9ANPC1SMN1; SMN2CA12CA1

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 RAB9A 1135/4885NPC1 2391/4885SMN1; SMN2 3747/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX RAB9A 1135/4885NPC1 2391/4885SMN1; SMN2 3747/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX RAB9A 1135/4885NPC1 2391/4885SMN1; SMN2 3747/4885

“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.