SCHEMBL1937688

SCHEMBL1937688

COc1cc(OC)cc(-c2c(Cl)nnc(C)c2-c2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.40
NQO2 P16083 1/20 0.40
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL1937880 0.90 ABL1 (0.44) TP53NPC1RAB9AMAPTKDM4E
SCHEMBL1937534 0.85 ADORA2A (0.43) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL1162406 0.84 CYP1A2 (0.33) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1162374 0.84 CYP1A2 (0.37) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1162386 0.83 PDE2A (0.35) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1162526 0.83 ALDH1A1 (0.41) TP53NPC1RAB9AMAPTKDM4E
SCHEMBL1162305 0.83 CYP1A2 (0.34) NPC1RAB9ANQO2ALDH1A1MEN1
SCHEMBL1162344 0.82 ALDH1A1 (0.41) TP53NPC1RAB9AMAPTKDM4E
SCHEMBL2354029 0.81 MEN1 (0.43) TP53NPC1RAB9AMAPTKDM4E
SCHEMBL2347440 0.81 NPC1 (0.39) NPC1RAB9AKDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330891-A1 FUNGICIDAL PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2011-06-15 EP disclosed
US-20110136762-A1 FUNGICIDAL PYRIDAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 US disclosed
WO-2010036553-A1 FUNGICIDAL PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-01 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 (1 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-20110136762-A1 FUNGICIDAL PYRIDAZINES PRDX1, PNPO, PRXL2A TP53 3919/4885NPC1 1393/4885RAB9A 1912/4885

“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.