SCHEMBL2810465

SCHEMBL2810465

CCC#Cc1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
CYP3A4 P08684 4/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
TP53 P04637 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PDK1 Q15118 1/20 0.41
HCRTR1 O43613 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADRB2 P07550 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL23426194 0.85 CYP2D6 (0.47) FFAR1CYP3A4CASP1RECQLDRD2
SCHEMBL2809245 0.82 DRD2 (0.44) FFAR1DRD2DRD3ASIC3CYP2D6
SCHEMBL20919125 0.82 CYP3A4 (0.59) FFAR1CYP3A4CASP1RECQLDRD2
SCHEMBL13529219 0.80 CYP3A4 (0.43) FFAR1CYP3A4CASP1RECQLDRD2
SCHEMBL4968126 0.80 CYP3A4 (0.58) FFAR1CYP3A4CASP1RECQLPIK3CA
SCHEMBL7402987 0.80 FFAR1 (0.44) FFAR1CYP3A4CASP1RECQLDRD2
SCHEMBL4011994 0.80 FFAR1 (0.44) FFAR1CYP3A4CASP1RECQLDRD2
SCHEMBL13529220 0.80 FFAR1 (0.47) FFAR1CYP3A4CASP1RECQLDRD2
Hydrochloric Acid SCHEMBL25281417 0.80 BLM (0.61) FFAR1CYP3A4CASP1RECQLDRD2
SCHEMBL13242886 0.79 CYP2A6 (0.51) FFAR1CYP3A4CASP1RECQLDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10765645-B2 Sulfur(VI) fluoride compounds and methods for the preparation thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-08 US disclosed
US-20190029972-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-31 US disclosed
CN-101203490-B Reactive monomer and resin composition containing same AMT LAB CO LTD 2011-08-10 CN disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
CN-101203490-A Reactive monomer and resin composition containing same AMT LAB CO LTD (JP) 2008-06-18 CN disclosed
CN-1237177-A Fused bicyclic pyrimidine derivatives PFIZER (US) 1999-12-01 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 (4 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-10765645-B2 Sulfur(VI) fluoride compounds and methods for the preparation thereof HAX1, CYP2F1, CYP4X1 FFAR1 2081/4885CYP3A4 150/4885CASP1 2008/4885
US-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B FFAR1 3015/4885CYP3A4 1909/4885CASP1 1288/4885
US-20190029972-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF HAX1, CYP2F1, CYP4X1 FFAR1 2081/4885CYP3A4 150/4885CASP1 2008/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 FFAR1 3769/4885CYP3A4 3918/4885CASP1 1789/4885

“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.