SCHEMBL3894477

SCHEMBL3894477

NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
POLB P06746 1/20 0.57
MCL1 Q07820 1/20 0.57
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
SRC P12931 1/20 0.48
MET P08581 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL121810 0.86 MEN1 (0.54) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL9834050 0.81 PDGFRB (0.58) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL11691634 0.80 MAPT (0.64) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL669313 0.80 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL25333103 0.80 KMT2A (0.48) MAPTMEN1KMT2AL3MBTL1POLB
Methane SCHEMBL9392239 0.79 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL126110 0.78 MAPT (0.61) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL15918696 0.78 MAPT (0.60) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL29042545 0.78 MEN1 (0.56) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL668093 0.78 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 US disclosed
EP-1866292-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS Auckland Uniservices Limited (NZ) 2007-12-19 EP disclosed
WO-2006104406-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LIMITED (NZ) 2006-10-05 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 MAPT 2323/4885MEN1 3968/4885KMT2A 3273/4885

“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.