SCHEMBL6335682

SCHEMBL6335682

COc1cc(OCC(F)(F)F)nc(N)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.54
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL2392582 0.91 NUDT1 (0.53) NUDT1CYP1A2CYP2C19CYP2C9RECQL
SCHEMBL6635380 0.84 LMNA (0.42) NUDT1CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL8634483 0.83 NUDT1 (0.73) NUDT1CYP1A2CYP2C19CYP2C9RECQL
SCHEMBL6335607 0.83 L3MBTL1 (0.37) NUDT1CYP1A2CYP2C19CYP2C9RECQL
SCHEMBL2392109 0.81 HSP90AA1 (0.50) NUDT1CYP1A2CYP2C19CYP2C9RECQL
SCHEMBL6335574 0.80 MEN1 (0.44) CYP1A2CYP2C19ALDH1A1MAPTKDM4E
SCHEMBL26977493 0.80 NUDT1 (0.46) NUDT1CYP1A2CYP2C19CYP2C9RECQL
SCHEMBL30559746 0.80 NUDT1 (0.46) NUDT1CYP1A2CYP2C19CYP2C9RECQL
SCHEMBL6333425 0.80 MEN1 (0.39) NUDT1CYP1A2CYP2C19MAPTMEN1
SCHEMBL8626519 0.79 KMT2A (0.46) NUDT1CYP1A2CYP2C19CYP2C9RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171350-A1 Benzhydryl derivatives FUJISAWA PHARAMACEUTICAL CO., LTD. (JP) 2005-08-04 US disclosed
EP-1456201-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
WO-2003053957-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (US) 2003-07-03 WO disclosed
US-5597779-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1997-01-28 US disclosed
US-5552368-A Sulfonylureas CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5519148-A CHEMICAL INTERMEDIATES FOR HERBICIDES CIBA-GEIGY CORPORATION (US) 1996-05-21 US disclosed
EP-0496701-B1 Sulfonylureas as herbizides CIBA GEIGY AG (CH) 1996-03-06 EP disclosed
US-5489695-A PREEMERGENCE, POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1996-02-06 US disclosed
US-5412107-A Phenylsulfonylchloride intermediates useful for the preparation of herbicidally active sulfonylureas CIBA-GEIGY CORPORATION (US) 1995-05-02 US disclosed
EP-0600967-A1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME. BASF AG (DE) 1994-06-15 EP disclosed
US-5286709-A Sulfonylureas CIBA-GEIGY CORPORATION (US) 1994-02-15 US disclosed
US-5209771-A Herbicides CIBA-GEIGY CORPORATION (US) 1993-05-11 US disclosed
EP-0496701-A1 Sulfonylureas as herbizides CIBA-GEIGY AG (CH) 1992-07-29 EP 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-20050171350-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 NUDT1 3307/4885CYP1A2 3008/4885CYP2C19 870/4885

“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.