SCHEMBL3426285

SCHEMBL3426285

O=C1CN(C(=O)c2ccc(NC(=O)C3(NC(=O)c4ccc(Br)s4)CCOCC3)cc2Br)CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
NFKB1 P19838 3/20 0.37
RAB9A P51151 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
PDE7A Q13946 1/20 0.34

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 0.88 MAPK14 (0.38) MAPK14HTTMEN1KMT2ANPC1
SCHEMBL3425541 0.88 MAPK14 (0.39) MAPK14HTTMEN1KMT2ANPC1
SCHEMBL3427786 0.87 HPGD (0.44) HTTMEN1KMT2ANPC1NFKB1
SCHEMBL3425883 0.83 F10 (0.39) MAPK14HTTMEN1KMT2ANPC1
SCHEMBL3426136 0.83 CTSL (0.43) MAPK14MEN1KMT2ANPC1NFKB1
SCHEMBL3426427 0.81 MAPK14 (0.39) MAPK14HTTMEN1KMT2ANPC1
SCHEMBL3426826 0.80 MAPK14 (0.40) MAPK14HTTMEN1KMT2ANPC1
SCHEMBL3428572 0.79 F10 (0.47) MAPK14HTTMEN1KMT2ASMN1; SMN2
SCHEMBL3429227 0.75 CTSL (0.47) MAPK14HTTMEN1KMT2ANPC1
SCHEMBL3427642 0.74 F10 (0.49) MAPK14HTTMEN1KMT2ASMN1; 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 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 3431/4885HTT 3554/4885MEN1 2340/4885

“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.