SCHEMBL6942904

SCHEMBL6942904

O=S(=O)(Nc1ccc(Oc2ccc3c(c2)OCO3)nc1Oc1ccc(-n2ccnc2)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.67
HPGD P15428 2/20 0.43
ST14 Q9Y5Y6 3/20 0.43
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL6944294 0.86 NOS2 (0.65) NOS2F2F10MAOAMAOB
SCHEMBL6939945 0.84 NOS2 (0.67) NOS2USP2ALOX15ALDH1A1MAOA
SCHEMBL6942377 0.81 NOS2 (1.00) NOS2USP2ALOX15ALDH1A1MAOA
SCHEMBL6940129 0.80 NOS2 (0.74) NOS2USP2ALDH1A1MAOAMAOB
SCHEMBL6942824 0.80 NOS2 (0.74) NOS2USP2ALDH1A1MAOAMAOB
SCHEMBL6942727 0.79 NOS2 (0.58) NOS2F10
SCHEMBL6939863 0.78 NOS2 (0.66) NOS2TSHRHTTMAOAMAOB
SCHEMBL6942766 0.78 NOS2 (0.68) NOS2USP2ALOX15ALDH1A1MAOA
SCHEMBL6945384 0.78 NOS2 (0.68) NOS2F10MAOAMAOB
SCHEMBL6945085 0.78 HPGD (0.51) NOS2HPGDST14F2F10

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 3/4885HPGD 35/4885ST14 3681/4885

“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.