SCHEMBL14009231

SCHEMBL14009231

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)s2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ NOX1 Q9Y5S8 1/20 0.52
▸ LMNA P02545 7/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ F10 P00742 1/20 0.50
▸ CISD2 Q8N5K1 1/20 0.49
▸ MAPK14 Q16539 2/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MCL1 Q07820 2/20 0.46

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
SCHEMBL14609606 0.93 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL14009158 0.85 NPC1 (0.54) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL14009284 0.84 CA1 (0.50) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL14009166 0.84 HRH3 (0.49) MAPTSMN1; SMN2NPC1LMNAKDM4E
SCHEMBL14009222 0.83 RXFP1 (0.51) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL14009173 0.83 KLKB1 (0.57) MAPTSMN1; SMN2NPC1LMNAKDM4E
SCHEMBL14009330 0.82 MEN1 (0.52) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL14009320 0.82 MEN1 (0.52) MAPTSMN1; SMN2RAB9ATP53LMNA
SCHEMBL14009167 0.80 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL14009168 0.80 MAPT (0.57) MAPTSMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — 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-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 MAPT 2145/4885SMN1; SMN2 2211/4885NPC1 4547/4885

“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.

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