SCHEMBL12797263

SCHEMBL12797263

C=CCc1cc([N+](=O)[O-])ccc1-c1cnccc1C=C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 2/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
RAB9A P51151 2/20 0.36
CYP19A1 P11511 5/20 0.35
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 5/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
NOS1 P29475 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
POLB P06746 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL12797261 0.85 TDP1 (0.38) MAPTALDH1A1NPC1RAB9ACYP19A1
SCHEMBL12848920 0.79 KDM4E (0.30) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9683795 0.70 TDP1 (0.50) MAPTALDH1A1LMNACYP3A4ALOX15
SCHEMBL8464338 0.69 PTPRC (0.52) MAPTALDH1A1RAB9ALMNACYP3A4
SCHEMBL2552755 0.68 ALDH1A1 (0.55) MAPTALDH1A1CYP19A1LMNACYP3A4
SCHEMBL7080073 0.68 PTPRC (0.41) MAPTALDH1A1LMNACYP3A4TXNRD1
SCHEMBL27401907 0.68 HSD17B10 (0.55) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8598894 0.68 MEN1 (0.39) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL4980531 0.68 POLB (0.61) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL4301056 0.67 MEN1 (0.45) MAPTALDH1A1CYP19A1LMNAPOLB

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 MAPT 1865/4885ALDH1A1 644/4885NPC1 1042/4885

“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.