SCHEMBL6945085

SCHEMBL6945085

O=S(=O)(Nc1ccc(Oc2ccc3c(c2)OCO3)nc1F)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.44
NOD2 Q9HC29 1/20 0.44
GLO1 Q04760 1/20 0.43
NOS2 P35228 1/20 0.41
ST14 Q9Y5Y6 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 2/20 0.41

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
SCHEMBL6945757 0.78 MAPK8 (0.48) MAPTALDH1A1PKMNOS2LMNA
SCHEMBL6947314 0.78 NOS2 (0.41) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL6942904 0.78 NOS2 (0.67) HPGDMEN1KMT2AMAPTHTT
SCHEMBL108699 0.72 NOS2 (0.66) MEN1KMT2AALDH1A1NOS2LMNA
SCHEMBL6946833 0.72 ALDH1A1 (0.47) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL6941680 0.71 RAB9A (0.47) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL6945034 0.71 F10 (0.49) MEN1KMT2APKMLMNANPC1
SCHEMBL21998729 0.70 HPGD (0.56) HPGDMEN1KMT2AMAPTHTT
SCHEMBL6942061 0.70 MAPK8 (0.50) HPGDMEN1KMT2AALDH1A1PKM
SCHEMBL6941353 0.69 NOS2 (0.56) MEN1KMT2AALDH1A1NOS2LMNA

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 HPGD 35/4885MEN1 3177/4885KMT2A 2660/4885

“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.