SCHEMBL6540259

SCHEMBL6540259

Cc1cc(NC(=O)C(F)(F)F)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
NPY5R Q15761 3/20 0.48
MAPT P10636 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TNIK Q9UKE5 1/20 0.45
BLM P54132 1/20 0.44
EPHX2 P34913 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL15886355 0.88 HDAC1 (0.49) CYP1A2CYP2C9CYP2C19L3MBTL1HDAC1
SCHEMBL24474072 0.86 KMT2A (0.56) CYP1A2CYP2C9CYP2C19L3MBTL1HDAC1
SCHEMBL31146306 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL6602968 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL6555417 0.81 HDAC1 (0.56) CYP1A2CYP2C9CYP2C19L3MBTL1HDAC1
SCHEMBL30254252 0.81 HDAC1 (0.56) CYP1A2CYP2C9CYP2C19L3MBTL1HDAC1
SCHEMBL21247929 0.81 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1HDAC1
SCHEMBL1310790 0.81 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1HDAC1
SCHEMBL405478 0.80 ALDH1A1 (0.57) L3MBTL1SMN1; SMN2MAPTCA12CA1
SCHEMBL4082732 0.80 L3MBTL1 (0.55) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2

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-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 CYP1A2 2840/4885CYP2C9 2182/4885CYP2C19 1774/4885

“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.