SCHEMBL7266136

SCHEMBL7266136

O=Cc1c(F)ccc(F)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
KIF11 P52732 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ERN1 O75460 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29775990 1.00 CYP2C9 (0.41) CYP2C9CYP2D6KIF11CYP3A4CYP2C19
SCHEMBL7272215 0.85 KIF11 (0.43) CYP2C9CYP2D6KIF11CYP3A4CYP2C19
SCHEMBL1591369 0.84 NOTUM (0.41) CYP2C9CYP2D6KIF11CYP2C19MEN1
SCHEMBL3335216 0.81 AR (0.41) CYP2C9CYP2D6
SCHEMBL7266124 0.81 ERN1 (0.41) CYP2C9CYP2D6ERN1MEN1ALDH1A1
SCHEMBL7274144 0.78 VCAM1 (0.41) CYP2C9CYP2D6CYP3A4ERN1MEN1
SCHEMBL12235261 0.77 ERN1 (0.42) CYP2C9CYP2D6CYP3A4CYP2C19ERN1
SCHEMBL7266185 0.74 CYP2C9 (0.41) CYP2C9CYP2D6KIF11CYP3A4CYP2C19
SCHEMBL7932559 0.74 CA1 (0.34) CYP2C9CYP2D6KIF11
SCHEMBL9340547 0.74 CYP2C9 (0.46) CYP2C9CYP2D6KIF11CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013756-B1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-05-08 EP disclosed
US-20220380371-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2022-12-01 US disclosed
EP-4013756-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS Novartis AG (CH) 2022-06-22 EP disclosed
WO-2021053617-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-03-25 WO disclosed
WO-2021053617-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-03-25 WO disclosed
US-9763956-B2 Diagnostic and treatment methods in subjects having or at risk of developing resistance to cancer therapy THE BROAD INSTITUTE, INC. (US) 2017-09-19 US disclosed
US-9763956-B2 Diagnostic and treatment methods in subjects having or at risk of developing resistance to cancer therapy THE BROAD INSTITUTE, INC. (US) 2017-09-19 US disclosed
EP-0396987-B1 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1994-06-15 EP disclosed
US-5041683-A Nuclear-fluorinated trifluoromethylbenzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0396987-A2 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1990-11-14 EP disclosed
EP-0230110-A1 Pharmacologically active pyrrole and pyrazole derivatives FISONS plc (GB) 1987-07-29 EP disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 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-20220380371-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS MLLT1, BMI1, DOT1L CYP2C9 4519/4885CYP2D6 4173/4885KIF11 993/4885

“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.