SCHEMBL4778256

SCHEMBL4778256

CC(C(N)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.45
CNR2 P34972 2/20 0.44
CXCL8 P10145 1/20 0.44
FLT4 P35916 3/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HSD11B1 P28845 3/20 0.39

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
Hydrochloric Acid SCHEMBL6559016 0.98 ACP3 (0.44) ACP3CNR2CXCL8FLT4AKR1C3
SCHEMBL27691016 0.85 ACP3 (0.47) ACP3CNR2AKR1C3AKR1C2P2RX7
SCHEMBL30428161 0.84 AKR1C3 (0.52) ACP3CNR2CXCL8AKR1C3AKR1C2
SCHEMBL194437 0.84 AKR1C3 (0.52) ACP3CNR2CXCL8AKR1C3AKR1C2
SCHEMBL28969367 0.82 ACP3 (0.45) ACP3CNR2AKR1C3AKR1C2P2RX7
SCHEMBL1061610 0.81 ACP3 (0.47) ACP3CNR2ALDH1A1LMNAGAA
SCHEMBL7471669 0.81 ACP3 (0.44) ACP3CNR2P2RX7SMN1; SMN2ALDH1A1
SCHEMBL9321170 0.80 CXCL8 (0.54) CXCL8LMNA
SCHEMBL8912757 0.80 ACP3 (0.46) ACP3CNR2AKR1C3ALDH1A1LMNA
SCHEMBL7472384 0.80 ACP3 (0.46) ACP3CNR2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP claimed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
WO-2003045920-A1 4-AMINOQUINOLINE COMPOUNDS MERCK & CO., INC. (US) 2003-06-05 WO claimed
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
EP-2912021-A1 AGGRECANASE INHIBITORS Eli Lilly and Company (US) 2015-09-02 EP disclosed
WO-2014066151-A1 AGGRECANASE INHIBITORS ELI LILLY AND COMPANY (US) 2014-05-01 WO disclosed
CN-101495458-B Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER IP GMBH 2014-01-29 CN disclosed
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 EP disclosed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 WO disclosed
CN-101891663-A Preparation method of bicalutamide intermediate Hangzhou minsheng pharmaceutical group co ltd 2010-11-24 CN disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US 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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 ACP3 3437/4885CNR2 456/4885CXCL8 3313/4885

“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.