SCHEMBL14009236

SCHEMBL14009236

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-c4c(C)noc4C)cc3)s2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ BRD4 O60885 3/20 0.47
▸ BRD2 P25440 3/20 0.47
▸ BRD3 Q15059 3/20 0.47
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ATM Q13315 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ EDNRB P24530 1/20 0.44
▸ EDNRA P25101 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ AKR1C3 P42330 2/20 0.42

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
SCHEMBL14009185 0.79 IMPDH2 (0.54) SMN1; SMN2KDM4ELMNAHPGDHSD17B10
SCHEMBL14009158 0.78 NPC1 (0.54) SMN1; SMN2KDM4ELMNAHPGDMAPT
SCHEMBL14009167 0.78 MAPT (0.49) SMN1; SMN2KDM4ELMNAMAPTMEN1
SCHEMBL14009284 0.77 CA1 (0.50) SMN1; SMN2KDM4ELMNAMAPTMEN1
SCHEMBL14009231 0.77 MAPT (0.52) SMN1; SMN2KDM4ELMNAHSD17B10MAPT
SCHEMBL14009289 0.77 LMNA (0.48) SMN1; SMN2KDM4ELMNAHPGDHSD17B10
SCHEMBL14009006 0.77 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ELMNAHPGDHSD17B10
SCHEMBL14009239 0.77 RAB9A (0.56) SMN1; SMN2KDM4ELMNAHPGDHSD17B10
SCHEMBL14009173 0.77 KLKB1 (0.57) SMN1; SMN2KDM4ELMNAMAPTMEN1
SCHEMBL14009222 0.77 RXFP1 (0.51) SMN1; SMN2KDM4ELMNAMAPTMEN1

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-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
WO-2007022258-A1 NOVEL HIGH AFFINITY THIOPHENE-BASED AND FURAN-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 — — WO 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 SMN1; SMN2 2211/4885KDM4E 638/4885LMNA 3745/4885

“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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