SCHEMBL3240229

SCHEMBL3240229

Oc1c(Br)cc(-c2cnc(COc3ccc(Cl)cc3Cl)nn2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
STAT3 P40763 2/20 0.42
STAT1 P42224 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
S1PR4 O95977 5/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MRGPRX4 Q96LA9 4/20 0.39

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
SCHEMBL3242523 0.91 MRGPRX4 (0.36) L3MBTL1NPC1RAB9AMAPTKMT2A
SCHEMBL3239858 0.89 MAPT (0.43) L3MBTL1NPC1RAB9AMAPTKMT2A
SCHEMBL3235743 0.84 MAPT (0.37) L3MBTL1NPC1RAB9AMAPTKMT2A
SCHEMBL3237664 0.83 MRGPRX4 (0.39) L3MBTL1NPC1RAB9AMAPTKMT2A
SCHEMBL3239927 0.80 CCR5 (0.40) RAB9A
SCHEMBL3237644 0.79 ALDH1A1 (0.40) L3MBTL1NPC1RAB9AMAPTKMT2A
SCHEMBL3242037 0.79 ALDH1A1 (0.36) L3MBTL1NPC1RAB9AKMT2AHPGD
SCHEMBL3242186 0.79 MAPT (0.44) L3MBTL1NPC1RAB9AMAPTKMT2A
SCHEMBL3247001 0.77 INPPL1 (0.39) L3MBTL1KMT2ASMN1; SMN2TDP1MAPK1
SCHEMBL3247216 0.77 PTPN1 (0.38) KMT2AMEN1ALDH1A1MRGPRX4

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 L3MBTL1 4134/4885NPC1 296/4885RAB9A 2981/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 L3MBTL1 3749/4885NPC1 233/4885RAB9A 2192/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 L3MBTL1 3749/4885NPC1 233/4885RAB9A 2192/4885

“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.