SCHEMBL17895138

SCHEMBL17895138

Cn1nc(C=O)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGES2 Q9H7Z7 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
SCHEMBL22413913 0.78 PKM (0.39) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL28592282 0.77 CNR1 (0.33) PKM
SCHEMBL22284505 0.76 PKM (0.48) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL28626528 0.76 PKM (0.48) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL22284469 0.75 FBP1 (0.41) PKMNPC1ALDH1A1RAB9AMAPT
Formic Acid SCHEMBL28057288 0.74 PKM (0.45) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL22284650 0.74 PKM (0.39) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL29796745 0.73 PKM (0.44) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL15503205 0.72 PKM (0.42) PKMNPC1ALDH1A1RAB9AMAPT
SCHEMBL3436871 0.71 PKM (0.45) PKMNPC1ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116056697-A 2-oxo-oxazolidine-5-carboxamides as NAV1.8 inhibitors 默沙东有限责任公司 2023-05-02 CN disclosed
US-20220281848-A1 PYRAZOLE-SUBSTITUTED PYRROLIDINONES AS HERBICIDES FMC CORP (US) 2022-09-08 US disclosed
CN-113874365-A Pyrazole-substituted pyrrolidones as herbicides FMC公司 2021-12-31 CN disclosed
WO-2020242946-A1 PYRAZOLE-SUBSTITUTED PYRROLIDINONES AS HERBICIDES FMC CORPORATION (US) 2020-12-03 WO disclosed
WO-2016106628-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
CN-102838546-A Pyrazole derivatives as modulators of 5-ht2a serotonin receptor useful for treatment of disorders related thereto ARENA PHARM INC 2012-12-26 CN disclosed
CN-101611013-B As 5-HT2APyrazole derivatives of serotonin receptor modulators for the treatment of disorders related thereto ARENA PHARM INC 2012-09-05 CN disclosed
CN-101611013-A As 5-HT2APyrazole derivatives of serotonin receptor modulators for the treatment of disorders related thereto ARENA PHARM INC (US) 2009-12-23 CN disclosed
CN-101151251-A Substituted pyrazolyloxyphenyl derivatives as herbicides BAYER CROPSCIENCE AG (DE) 2008-03-26 CN 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-20220281848-A1 PYRAZOLE-SUBSTITUTED PYRROLIDINONES AS HERBICIDES CBR3, PRMT9, ARG1 PKM 1151/4885NPC1 4819/4885ALDH1A1 723/4885

“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.