SCHEMBL6943236

SCHEMBL6943236

COC(=O)c1c(Cl)nc(Cc2ccc3c(c2)OCO3)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH2 P05091 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK10 P53779 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6937614 0.87 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10LMNAMAPTHTT
SCHEMBL6947146 0.84 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10LMNAMAPTHTT
SCHEMBL6941343 0.84 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10LMNAMAPTHTT
SCHEMBL6942688 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10MAPTMAPK1CYP3A4
SCHEMBL6944624 0.80 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10LMNAMAPTHTT
SCHEMBL6939968 0.79 ALDH1A1 (0.51) SMN1; SMN2HSD17B10LMNAMAPTHTT
SCHEMBL6939629 0.79 NOS2 (0.55) SMN1; SMN2HTTTSHRALDH1A1
SCHEMBL6947220 0.79 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10MAPTMAPK1CYP3A4
SCHEMBL6942102 0.77 ALDH1A1 (0.46) HSD17B10ALDH1A1
SCHEMBL6942379 0.76 TSHR (0.47) SMN1; SMN2HSD17B10LMNAMAPTHTT

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 SMN1; SMN2 3678/4885HSD17B10 692/4885LMNA 2000/4885

“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.