SCHEMBL14014285

SCHEMBL14014285

NCOc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
AOC2 O75106 1/20 0.52
DAO P14920 1/20 0.52
MAOA P21397 1/20 0.52
APP P05067 1/20 0.47
AGXT P21549 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PARP10 Q53GL7 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL7640115 0.86 AGXT (0.56) MAOBAGXTTDP1TAAR1
SCHEMBL322907 0.80 TAAR1 (0.60) MAOBAOC2DAOMAOACYP1A2
SCHEMBL1010758 0.78 MAOB (0.52) MAOBAOC2DAOMAOACYP1A2
Hydrochloric Acid SCHEMBL321866 0.78 TAAR1 (0.58) MAOBAOC2DAOMAOACYP1A2
SCHEMBL9114592 0.78 CYP1A2 (0.63) MAOBMAOAAPPCYP1A2CYP2D6
SCHEMBL11868582 0.78 MAOB (0.50) MAOBAOC2DAOMAOAAPP
SCHEMBL1620167 0.77 APP (0.52) MAOBAPPCYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4377848 0.77 MAOB (0.55) MAOBAOC2DAOMAOACYP1A2
SCHEMBL3362252 0.76 TDP1 (0.61) MAOBMAOAAPPAGXTTDP1
SCHEMBL10338308 0.76 MEN1 (0.60) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925283-B2 Microbiocidal phenylamidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-02-23 US disclosed
EP-3541779-B1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-12-23 EP disclosed
US-20200060275-A1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-02-27 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 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 (3 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-20200060275-A1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES ARG1, MSR1, PADI1 MAOB 544/4885AOC2 1120/4885DAO 475/4885
US-20070135458-A1 6-Substituted pyrido-pyrimidines P2RX6, P2RX1, P2RX7 MAOB 973/4885AOC2 1463/4885DAO 1457/4885
US-10925283-B2 Microbiocidal phenylamidine derivatives ARG1, MSR1, PADI1 MAOB 544/4885AOC2 1120/4885DAO 475/4885

“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.