SCHEMBL3426176

SCHEMBL3426176

O=CN1CCN(C(=O)c2ccc(NC(=O)C3(NC(=O)c4ccc(Cl)s4)CC4CCC3O4)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 4/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
F10 P00742 3/20 0.34
EPHX2 P34913 2/20 0.33
MGLL Q99685 1/20 0.33
HPGD P15428 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL3428811 0.80 F10 (0.41) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL3426030 0.75 F10 (0.45) F10KDM4E
SCHEMBL6454562 0.73 F10 (0.40) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4465179 0.68 F10 (0.41) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL3429300 0.68 F10 (0.51) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL4456137 0.68 F10 (0.44) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL4564715 0.68 F10 (0.44) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL3424771 0.62 F10 (0.82) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL21229845 0.60 AKR1C1 (0.56) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL8283451 0.59 F10 (0.54) CA12CA1CA2CA7CA9

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 CA12 961/4885CA1 1402/4885CA2 64/4885

“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.