SCHEMBL14008957

SCHEMBL14008957

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-c4nc[nH]n4)c(F)c3)o2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 2/20 0.52
▸ PKM P14618 4/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 8/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ PRNP P04156 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL14008968 0.88 RAB9A (0.41) S1PR4PKMALDH1A1MAPTLMNA
SCHEMBL14009011 0.76 NPC1 (0.39) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL14008940 0.74 APOBEC3A (0.49) S1PR4PKMMAPTRAB9ANPC1
SCHEMBL14009031 0.69 S1PR4 (0.51) S1PR4PKMALDH1A1MAPTLMNA
SCHEMBL11206018 0.63 NPC1 (0.55) MAPTLMNAHPGDRAB9ANPC1
SCHEMBL23657657 0.63 NPC1 (0.67) PKMALDH1A1MAPTRAB9ANPC1
SCHEMBL11826733 0.63 RAB9A (0.65) ALDH1A1MAPTLMNAHPGDRAB9A
SCHEMBL14009239 0.62 RAB9A (0.56) ALDH1A1MAPTLMNAHPGDRAB9A
SCHEMBL11996735 0.62 HDAC1 (0.39) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL14009173 0.62 KLKB1 (0.57) S1PR4PKMMAPTLMNANPC1

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-8808952-B2 Composition for forming charge transporting film, electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2014-08-19 — — US disclosed
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 S1PR4 2719/4885PKM 879/4885ALDH1A1 4225/4885

“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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