SCHEMBL7045810

SCHEMBL7045810

CSC(C)=NOCc1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.43
DGAT1 O75907 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TERT O14746 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL5110153 0.84 NPC1 (0.50) ALDH1A1NPC1RAB9APOLBMEN1
SCHEMBL5110217 0.81 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLBDGAT1
SCHEMBL14207831 0.81 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLBDGAT1
SCHEMBL14207825 0.77 NPC1 (0.56) ALDH1A1NPC1RAB9APOLBMEN1
SCHEMBL21617021 0.75 POLB (0.43) ALDH1A1NPC1RAB9APOLBMEN1
SCHEMBL29574285 0.73 RAB9A (0.45) ALDH1A1NPC1RAB9APOLBDGAT1
SCHEMBL22717358 0.73 RAB9A (0.45) ALDH1A1NPC1RAB9APOLBDGAT1
SCHEMBL2134732 0.70 ALDH1A1 (0.57) ALDH1A1NPC1RAB9APOLBDGAT1
SCHEMBL1145938 0.70 ALDH1A1 (0.54) ALDH1A1NPC1RAB9APOLBMEN1
SCHEMBL7045809 0.70 ALDH1A1 (0.48) ALDH1A1NPC1RAB9APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092739-A1 Heterocyclic compounds SINON CORPORATION (TW) 2003-05-15 US claimed
US-20030092739-A1 Heterocyclic compounds SINON CORPORATION (TW) 2003-05-15 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-20030092739-A1 Heterocyclic compounds NOX1, CBR1, DDT ALDH1A1 503/4885NPC1 2536/4885RAB9A 1627/4885

“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.