SCHEMBL6944322

SCHEMBL6944322

Oc1nc(Cc2ccc3c(c2)OCO3)nc(O)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
CALM1 P0DP23 2/20 0.47
ADORA1 P30542 1/20 0.45
HPGD P15428 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IGFBP3 P17936 1/20 0.44
MAOA P21397 3/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41
EDNRA P25101 1/20 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
SCHEMBL6945047 0.87 MAOB (0.54) MAOBCALM1ADORA1HPGDNPC1
SCHEMBL6943260 0.86 MAOB (0.51) MAOBCALM1ADORA1HPGDNPC1
SCHEMBL6942703 0.81 CALM1 (0.49) CALM1HPGDNPC1RAB9AKMT2A
SCHEMBL6942293 0.77 ALDH1A1 (0.51) CALM1L3MBTL1IGFBP3ALDH1A1
SCHEMBL6945952 0.77 CALM1 (0.47) CALM1HPGDNPC1RAB9AL3MBTL1
SCHEMBL6946295 0.76 MAOB (0.50) MAOBCALM1ADORA1NPC1RAB9A
SCHEMBL6942147 0.75 CALM1 (0.49) CALM1ADORA1IGFBP3ALDH1A1MAPT
SCHEMBL6942002 0.75 CALM1 (0.45) CALM1HPGDNPC1RAB9AKMT2A
SCHEMBL6945057 0.75 ALDH1A1 (0.46) CALM1ADORA1IGFBP3ALDH1A1
SCHEMBL5121411 0.74 HPGD (0.54) HPGDNPC1RAB9AKMT2AALDH1A1

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 MAOB 18/4885CALM1 1648/4885ADORA1 701/4885

“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.