SCHEMBL14009326

SCHEMBL14009326

COC(=O)c1ccc(NC(=O)c2ccc(OC)cc2C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.47
▸ TDP1 Q9NUW8 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ HTT P42858 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ OPRD1 P41143 1/20 0.41
▸ CISD2 Q8N5K1 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL14009355 0.92 HTT (0.46) TP53TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14009330 0.76 MEN1 (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1179412 0.75 HTT (0.58) L3MBTL1ALDH1A1MAPTHPGDRAB9A
SCHEMBL14008933 0.75 MAPT (0.45) TP53MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7336707 0.73 LMNA (0.54) TP53TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL4767061 0.73 PLK1 (0.59) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL11648261 0.72 NPC1 (0.68) TP53ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL16073083 0.72 TP53 (0.62) TP53ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL22887206 0.72 SMN1; SMN2 (0.70) TP53ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1252119 0.71 CA1 (0.61) TP53ALDH1A1MAPTSMN1; SMN2RAB9A

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 TP53 822/4885TDP1 891/4885L3MBTL1 3370/4885

“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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