SCHEMBL162258

SCHEMBL162258

COc1[c]cccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
NFE2L2 Q16236 8/20 0.33
MAOB P27338 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ACHE P22303 2/20 0.33
IDO1 P14902 2/20 0.32
EGFR P00533 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL8125843 0.83 KMT2A (0.40) KMT2AGAANFE2L2MAOBALDH1A1
SCHEMBL4634623 0.82 CA2 (0.37) ALDH1A1LMNA
SCHEMBL28067322 0.80 CTSS (0.34) RAB9A
SCHEMBL1068440 0.80 HSD11B1 (0.33) MAOBALDH1A1IDO1
SCHEMBL22729269 0.79 TRPA1 (0.35) IDO1
SCHEMBL8115470 0.79 KDM4E (0.38) KMT2AMAOBIDO1
SCHEMBL1067751 0.77 SLC22A12 (0.36) IDO1
SCHEMBL8125091 0.77 BACE1 (0.36) GAAMAOBALDH1A1LMNA
SCHEMBL4544271 0.76 LTA4H (0.38) MAOBALDH1A1IDO1MAPTRAB9A
SCHEMBL12816738 0.74

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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 EP claimed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO claimed
US-20240016152-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2024-01-18 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230064576-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 EP disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
EP-0243173-B1 NEW DIPHOSPHONIC ACID COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed
US-4963536-A INHIBIT BONE RESORPTION FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
US-4857513-A Diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISIWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
EP-0243173-A2 New diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP disclosed
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed
EP-0004288-A2 Phenoxyalkyl amines, pharmaceutical compositions containing them, and process for their preparation MERCK PATENT GmbH (DE) 1979-10-03 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 (9 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-20240016152-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX KMT2A 1871/4885GAA 231/4885NFE2L2 2054/4885
US-20230064576-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS PNPO, PDXK, BLVRB KMT2A 2293/4885GAA 695/4885NFE2L2 2769/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 KMT2A 1615/4885GAA 624/4885NFE2L2 1328/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 KMT2A 908/4885GAA 456/4885NFE2L2 1282/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 KMT2A 1615/4885GAA 624/4885NFE2L2 1328/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 KMT2A 908/4885GAA 456/4885NFE2L2 1282/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 KMT2A 908/4885GAA 456/4885NFE2L2 1282/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB KMT2A 1161/4885GAA 941/4885NFE2L2 3364/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 KMT2A 1615/4885GAA 624/4885NFE2L2 1328/4885

“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.