SCHEMBL6941680

SCHEMBL6941680

COC(=O)c1ccc(Oc2ccc3c(c2)OCO3)nc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 3/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.43

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
SCHEMBL19808934 0.87 RAB9A (0.47) RAB9AKMT2AMAPK1HPGDALOX15
SCHEMBL6942061 0.87 MAPK8 (0.50) RAB9AKMT2AMAPK1HPGDALOX15
SCHEMBL19808929 0.85 RAB9A (0.44) RAB9AKMT2AMAPK1HPGDALOX15
SCHEMBL19808931 0.85 RAB9A (0.47) RAB9AKMT2AMAPK1HPGDALOX15
SCHEMBL6939923 0.83 MEN1 (0.45) RAB9AKMT2AALDH1A1TSHRKDM4E
SCHEMBL6939995 0.82 F10 (0.48) RAB9AKMT2AMAPK1HPGDALOX15
SCHEMBL6946833 0.80 ALDH1A1 (0.47) RAB9AKMT2AMAPK1HPGDALOX15
SCHEMBL6945757 0.79 MAPK8 (0.48) RAB9AMAPK1ALDH1A1MAPTTP53
SCHEMBL6944274 0.78 MAPK8 (0.44) RAB9AKMT2AMAPK1HPGDALOX15
SCHEMBL6947314 0.76 NOS2 (0.41) RAB9AKMT2AMAPK1HPGDALOX15

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 RAB9A 2017/4885KMT2A 2660/4885MAPK1 1452/4885

“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.