SCHEMBL864957

SCHEMBL864957

Nc1nc(-c2ccccc2)cc[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 2/20 0.45
ADORA2A P29274 6/20 0.44
HSP90AA1 P07900 2/20 0.44
AURKA O14965 1/20 0.44
PRKACA P17612 1/20 0.44
ADORA1 P30542 5/20 0.44
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL30566989 0.77 KMT2A (0.45) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL29030632 0.77 KMT2A (0.45) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL11218549 0.67 RAB9A (0.42) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL30465795 0.64 ASIC3 (1.00) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL1039866 0.64 ASIC3 (1.00) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL11590469 0.64 RAB9A (0.38) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL6153238 0.64 ASIC3 (0.50) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL58442 0.64 MEN1 (1.00) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL8249472 0.63 MAOA (0.43) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL4053052 0.63 MAP2K3 (0.56) ASIC3MEN1KMT2ARAB9AADORA2A

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
WO-2010114493-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-07 WO claimed
US-20120077792-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-03-29 US disclosed
WO-2010114493-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-07 WO disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 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-20120077792-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER IAPP, RNASE1, LETM1 ASIC3 1631/4885MEN1 44/4885KMT2A 4378/4885

“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.