SCHEMBL6943741

SCHEMBL6943741

Cc1c(Cl)nc(Cl)nc1Nc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.48
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BRD4 O60885 2/20 0.45
ULK1 O75385 3/20 0.45
EGFR P00533 2/20 0.45
KDR P35968 2/20 0.45
TGFBR1 P36897 1/20 0.45

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
SCHEMBL6945105 0.82 LMNA (0.62) NPC1ALOX15RAB9AHSD17B10LMNA
SCHEMBL6943553 0.81 NPC1 (0.51) NPC1ALOX15RAB9AHSD17B10LMNA
SCHEMBL264777 0.80 BRD4 (0.57) NPC1ALOX15RAB9AHSD17B10LMNA
SCHEMBL6944700 0.78 PDE5A (0.51) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL658223 0.78 BRAF (0.49) NPC1RAB9AHSD17B10LMNAMAPT
SCHEMBL13326012 0.77 LMNA (0.62) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL4535062 0.77 BRAF (0.48) NPC1RAB9AHSD17B10LMNAMAPT
SCHEMBL17526199 0.77 BRD4 (0.59) NPC1ALOX15RAB9AHSD17B10LMNA
SCHEMBL30306561 0.77 BRD4 (0.59) NPC1ALOX15RAB9AHSD17B10LMNA
SCHEMBL3114780 0.76 TGFBR1 (0.62) NPC1ALOX15RAB9AHSD17B10LMNA

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-1268471-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2003-10-15 EP disclosed
US-6525051-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 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 (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-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS3, NOS2 NPC1 1499/4885ALOX15 392/4885RAB9A 2017/4885

“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.