SCHEMBL12553545

SCHEMBL12553545

Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.62
MAPT P10636 7/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL1960081 0.88 LMNA (0.62) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1960082 0.88 LMNA (0.62) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL12553548 0.84 TP53 (0.69) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL12566779 0.83 TP53 (0.68) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL12553546 0.82 TP53 (0.67) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL12566786 0.78 TP53 (0.78) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1961562 0.77 KMT2A (0.79) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1961563 0.77 KMT2A (0.79) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL6099735 0.77 MEN1 (0.77) MAPTLMNAKMT2AMEN1HTT
SCHEMBL6099740 0.77 MEN1 (0.77) MAPTLMNAKMT2AMEN1HTT

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-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2014-06-05 US disclosed
US-8552009-B2 Substituted pyrimido 4.5-d pyrimidin-4-one compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. 2013-10-08 US disclosed
US-20110144135-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES, INC. (US) 2011-06-16 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 (2 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-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 TP53 4750/4885MAPT 1751/4885LMNA 3054/4885
US-20110144135-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 TP53 4750/4885MAPT 1751/4885LMNA 3054/4885

“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.