SCHEMBL3240091

SCHEMBL3240091

OCCN(Cc1ccccc1)Cc1ccc(COc2ncc(-c3cc(Cl)c(O)c(Cl)c3)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 3/20 0.35
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CDK1 P06493 1/20 0.33
PTPN1 P18031 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
PIN1 Q13526 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3238195 0.93 L3MBTL1 (0.36) MEN1KMT2AALDH1A1LMNABCHE
SCHEMBL3239878 0.92 PDCD1 (0.37) HTTPDCD1CD274MEN1KMT2A
SCHEMBL3240054 0.92 PDCD1 (0.41) HTTPDCD1CD274ACHELMNA
SCHEMBL3240022 0.89 L3MBTL1 (0.46) MEN1KMT2AACHEALDH1A1BCHE
SCHEMBL3236455 0.89 PDCD1 (0.36) PDCD1CD274CDK1
SCHEMBL3243410 0.88 BCHE (0.38) PDCD1CD274BCHEGAAMAPT
SCHEMBL3245515 0.87 CCR5 (0.42) MEN1KMT2AACHEBCHEGAA
SCHEMBL3237558 0.82 MELK (0.35) PTPN1
SCHEMBL3244109 0.80 PTPN1 (0.40) ALDH1A1LMNAPTPN1HSD17B10
SCHEMBL3241929 0.78 ACHE (0.43) HTTMEN1KMT2AACHEALDH1A1

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 HTT 865/4885PDCD1 4280/4885CD274 4792/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 HTT 738/4885PDCD1 4672/4885CD274 4823/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HTT 738/4885PDCD1 4672/4885CD274 4823/4885

“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.