SCHEMBL3236202

SCHEMBL3236202

CN(C)c1cccc(COc2ncc(-c3cc(Cl)c(O)c(Cl)c3)nn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
FFAR1 O14842 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
APP P05067 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
FYN P06241 3/20 0.34
ROCK2 O75116 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ROCK1 Q13464 1/20 0.34
PRKDC P78527 1/20 0.33

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
SCHEMBL3239975 0.87 ALDH1A1 (0.35) SCN9AFFAR1ALDH1A1TSHRAPP
SCHEMBL3245515 0.82 CCR5 (0.42) MAPTCYP3A4CYP2D6
SCHEMBL13667189 0.80 PTPN1 (0.33) APPNOS1NOS2FYNROCK2
SCHEMBL3240176 0.80 RXRA (0.43) ROCK2ROCK1
SCHEMBL3238195 0.79 L3MBTL1 (0.36) ALDH1A1L3MBTL1
SCHEMBL3243797 0.79 APP (0.35) APP
SCHEMBL3244109 0.79 PTPN1 (0.40) FFAR1ALDH1A1APP
SCHEMBL3240022 0.78 L3MBTL1 (0.46) ALDH1A1TSHRL3MBTL1
SCHEMBL3241929 0.78 ACHE (0.43) ALDH1A1HTTSMN1; SMN2GRM5
SCHEMBL3240828 0.78 CCR5 (0.33) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
WO-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 SCN9A 2171/4885FFAR1 852/4885ALDH1A1 2483/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 SCN9A 902/4885FFAR1 1350/4885ALDH1A1 2115/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 SCN9A 902/4885FFAR1 1350/4885ALDH1A1 2115/4885

“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.