SCHEMBL16579705

SCHEMBL16579705

COc1cc(C)nc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GRM5 P41594 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NQO2 P16083 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.38
GRM8 O00222 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRM7 Q14831 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GPR35 Q9HC97 1/20 0.37
RAD52 P43351 1/20 0.37
PTPN11 Q06124 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4382412 0.85 ALDH1A1 (0.53) ALDH1A1POLBKDM4ENQO2CYP3A4
SCHEMBL7231586 0.83 ALDH1A1 (0.56) ALDH1A1POLBKDM4ENQO2HPGD
SCHEMBL27769272 0.77 L3MBTL1 (0.44) ALDH1A1KDM4ENQO2HPGDCYP3A4
SCHEMBL27348365 0.77 ABL1 (0.30)
SCHEMBL19088238 0.77 MAPK1 (0.39) ALDH1A1POLBKDM4EHPGDCYP1A2
SCHEMBL13760004 0.76 ALDH1A1 (0.42) ALDH1A1POLBKDM4ENQO2HPGD
SCHEMBL17878829 0.76 ALDH1A1 (0.42) ALDH1A1POLBKDM4ENQO2HPGD
SCHEMBL17923133 0.76 NOS1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL8894323 0.74 ALDH1A1 (0.46) ALDH1A1POLBKDM4ENQO2HPGD
SCHEMBL14842377 0.73 NOS3 (0.54) ALDH1A1POLBKDM4ENQO2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738634-B2 Heterocyclic amide compound and herbicide SYNGENTA PARTICIPATIONS AG (CH) 2017-08-22 US disclosed
WO-2017117406-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 WO disclosed
US-20160221998-A1 HETEROCYCLIC AMIDE COMPOUND AND HERBICIDE SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
EP-3045455-A1 HETEROCYCLIC AMIDE COMPOUND AND HERBICIDE Syngenta Participations AG (CH) 2016-07-20 EP disclosed
WO-2015037680-A1 HETEROCYCLIC AMIDE COMPOUND AND HERBICIDE 日産化学工業株式会社 (JP) 2015-03-19 WO 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-20160221998-A1 HETEROCYCLIC AMIDE COMPOUND AND HERBICIDE GLRA1, RER1, H1-4 ALDH1A1 318/4885GRM5 389/4885POLB 4303/4885

“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.