SCHEMBL8403256

SCHEMBL8403256

CCc1cnccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CD38 P28907 1/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
FAAH O00519 1/20 0.39
SCD5 Q86SK9 2/20 0.39
SCD O00767 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP2E1 P05181 2/20 0.38
CYP2C8 P10632 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL21503557 0.85 CYP2E1 (0.41) ALDH1A1CD38GRIN1GRIN2BFAAH
SCHEMBL15514881 0.84 CD38 (0.40) ALDH1A1CD38GRIN1GRIN2BFAAH
SCHEMBL805511 0.84 ALDH1A1 (0.45) ALDH1A1PTGS1PTGS2SLC22A12CYP2E1
SCHEMBL2605773 0.82 CYP2E1 (0.39) ALDH1A1PTGS1PTGS2SLC22A12CYP2E1
SCHEMBL22905234 0.81 ALDH1A1 (0.37) ALDH1A1CD38GRIN1GRIN2BFAAH
SCHEMBL21503552 0.81 SCD (0.40) ALDH1A1CD38GRIN1GRIN2BFAAH
SCHEMBL21503665 0.80 ALDH1A1 (0.38) ALDH1A1CD38GRIN1GRIN2BFAAH
SCHEMBL2377138 0.80 SLC22A12 (0.43) ALDH1A1CD38GRIN1GRIN2BFAAH
SCHEMBL1272973 0.80 GRIN1 (0.40) ALDH1A1CD38GRIN1GRIN2BFAAH
SCHEMBL29525334 0.80 CD38 (0.40) ALDH1A1CD38GRIN1GRIN2BFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
WO-2023110932-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-22 WO disclosed
US-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 US disclosed
EP-3587420-B1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-31 EP disclosed
WO-2021023209-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUNDS, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 北京志健金瑞生物医药科技有限公司 2021-02-11 WO disclosed
WO-2020249785-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US disclosed
WO-2011021645-A1 BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-02-24 WO disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA , LTD. (JP) 2010-07-15 US disclosed
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA , LTD. (JP) 2010-07-15 US disclosed
EP-2172456-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PEST CONTROL AGENT CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-04-07 EP disclosed
US-7498341-B2 antidiabetic agents; type 2 diabetes SANOFI AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-03 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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 (7 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885CD38 659/4885GRIN1 1021/4885
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 ALDH1A1 1827/4885CD38 1578/4885GRIN1 3969/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS ALDH1A1 2917/4885CD38 1422/4885GRIN1 4556/4885
US-20100179172-A1 N-PHENYL-METHANAMINE DERIVATIVE AND PESTICIDE CONTAINING IT CHRM2, CHRM5, CHRM3 ALDH1A1 2887/4885CD38 2993/4885GRIN1 860/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR ALDH1A1 2254/4885CD38 4393/4885GRIN1 1666/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 ALDH1A1 1279/4885CD38 424/4885GRIN1 2066/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 ALDH1A1 2611/4885CD38 2457/4885GRIN1 3736/4885

“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.