SCHEMBL6941877

SCHEMBL6941877

COC(=O)Cc1c(Cl)nc(Cc2ccc3c(c2)OCO3)nc1Oc1ccc(-n2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 19/20 0.54
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL6940290 0.88 NOS2 (0.57) NOS2
SCHEMBL6939922 0.88 NOS2 (0.59) NOS2
SCHEMBL6939629 0.88 NOS2 (0.55) NOS2ALDH1A1TSHRATMSMN1; SMN2
SCHEMBL6940209 0.86 NOS2 (0.53) NOS2
SCHEMBL6940389 0.85 NOS2 (0.61) NOS2
SCHEMBL6946779 0.85 NOS2 (0.61) NOS2
SCHEMBL6942320 0.81 NOS2 (0.54) NOS2
SCHEMBL6941343 0.80 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL6942321 0.79 NOS2 (0.58) NOS2
SCHEMBL6942859 0.79 NOS2 (0.73) NOS2

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 5 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
EP-1268471-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-02 EP disclosed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 US disclosed
WO-2001072744-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-04 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-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS3, NOS2 NOS2 3/4885ALDH1A1 573/4885TSHR 2607/4885

“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.