SCHEMBL7916895

SCHEMBL7916895

Cc1cc(C(F)(F)F)c(I)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
UHRF1 Q96T88 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2A6 P11509 1/20 0.34
CFTR P13569 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
ASPH Q12797 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
S1PR1 P21453 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
NTRK1 P04629 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL16656835 0.85 HPGD (0.35) HPGDHSD17B10UHRF1CYP1A2CYP2A6
SCHEMBL21719295 0.80 UHRF1 (0.37) UHRF1CYP1A2CYP2A6ALDH1A1CYP2C9
SCHEMBL15857991 0.79 UHRF1 (0.39) HPGDHSD17B10UHRF1CYP1A2CYP2A6
SCHEMBL13274209 0.78 COMT (0.40) HPGDHSD17B10UHRF1CYP1A2CYP2A6
SCHEMBL25933187 0.78 TRPV4 (0.39) CFTRSLC22A12ASPHALDH1A1CYP2C9
SCHEMBL17808274 0.78 CFTR (0.35) CFTRALDH1A1
SCHEMBL6921026 0.77 UHRF1 (0.43) HPGDHSD17B10UHRF1CYP1A2CYP2A6
SCHEMBL503326 0.77 PIK3CD (0.41) CFTRPIK3CA
SCHEMBL13073943 0.76 UHRF1 (0.46) HPGDHSD17B10UHRF1CYP1A2CYP2A6
SCHEMBL25787773 0.76 HPGD (0.37) HPGDHSD17B10UHRF1CYP1A2CYP2A6

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
WO-2010097332-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (2 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS HPGD 81/4885HSD17B10 237/4885UHRF1 3487/4885
US-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 HPGD 1039/4885HSD17B10 202/4885UHRF1 2390/4885

“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.