SCHEMBL3426427

SCHEMBL3426427

Cc1cc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCOC2)ccc1C(=O)N1CCNC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.39
F10 P00742 2/20 0.38
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 3/20 0.35
NFKB1 P19838 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB2 Q00653 3/20 0.35
KMT2A Q03164 3/20 0.35
RELA Q04206 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
POLB P06746 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL3428698 0.93 MAPK14 (0.38) MAPK14F10MEN1NPC1NFKB1
SCHEMBL3428575 0.91 F10 (0.48) MAPK14F10MAPK13MAPK12MAPK11
SCHEMBL3425883 0.89 F10 (0.39) MAPK14F10MEN1NPC1NFKB1
SCHEMBL3777662 0.88 F10 (0.48) MAPK14F10MAPK13MAPK12MAPK11
SCHEMBL3771943 0.88 F10 (0.48) MAPK14F10MAPK13MAPK12MAPK11
SCHEMBL3421749 0.88 F10 (0.48) MAPK14F10MAPK13MAPK12MAPK11
SCHEMBL3425891 0.87 F10 (0.41) MAPK14F10MAPK13MAPK12MAPK11
SCHEMBL3429455 0.85 F10 (0.40) F10MEN1NPC1NFKB1RAB9A
SCHEMBL3428572 0.84 F10 (0.47) MAPK14F10MEN1KMT2ASMN1; SMN2
SCHEMBL3425541 0.84 MAPK14 (0.39) MAPK14F10MEN1NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 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-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 MAPK14 3431/4885F10 1901/4885MAPK13 4258/4885

“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.