SCHEMBL6942379

SCHEMBL6942379

COC(=O)c1cnc(Cc2ccc3c(c2)OCO3)nc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 3/20 0.45
MAPT P10636 5/20 0.44
PPP1CA P62136 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 4/20 0.43
GAA P10253 3/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL6947146 0.88 SMN1; SMN2 (0.49) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6941106 0.84 SMN1; SMN2 (0.47) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6937614 0.84 SMN1; SMN2 (0.51) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6942607 0.82 CYP3A4 (0.45) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6939898 0.81 GAA (0.49) MEN1KMT2AMAPTCYP3A4HPGD
SCHEMBL6942002 0.81 CALM1 (0.45) MEN1KMT2ASMN1; SMN2HSD17B10MAPT
SCHEMBL6943649 0.79 SMN1; SMN2 (0.42) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6943282 0.77 SMN1; SMN2 (0.49) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6944624 0.77 SMN1; SMN2 (0.49) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6942703 0.76 CALM1 (0.49) KMT2ASMN1; SMN2HSD17B10MAPTCYP3A4

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 TSHR 2607/4885KDM4E 1934/4885MEN1 3177/4885

“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.