SCHEMBL10102502

SCHEMBL10102502

CCc1nc2ccccn2c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7981079 0.81 PTGS1 (0.67) PTGS1PTGS2LMNACYP1A2KMT2A
SCHEMBL6739461 0.80 PTGS1 (0.61) PTGS1PTGS2LMNACYP1A2KMT2A
SCHEMBL3685087 0.76 PTGS1 (0.61) PTGS1PTGS2LMNACYP1A2KMT2A
SCHEMBL29174927 0.76 PTGS1 (0.61) PTGS1PTGS2LMNACYP1A2KMT2A
SCHEMBL6491847 0.76 KDM4E (0.49) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL31040146 0.74 PTGS1 (1.00) PTGS1PTGS2LMNACYP1A2KMT2A
SCHEMBL11539578 0.74 PTGS1 (0.62) PTGS1PTGS2LMNACYP1A2KMT2A
SCHEMBL13144236 0.74 KDM4E (0.50) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL6491851 0.74 KDM4E (0.50) CYP1A2KMT2AMEN1GAAALDH1A1
SCHEMBL31040215 0.72 PTGS1 (0.64) PTGS1PTGS2LMNACYP1A2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K PTGS1 2300/4885PTGS2 2931/4885LMNA 1423/4885

“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.