SCHEMBL1960081

SCHEMBL1960081

COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
TP53 P04637 5/20 0.60
MAPT P10636 6/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
GLA P06280 1/20 0.54
PKM P14618 1/20 0.54
MCL1 Q07820 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL1960082 1.00 LMNA (0.62) LMNATP53MAPTMEN1KMT2A
SCHEMBL12553545 0.88 TP53 (0.62) LMNATP53MAPTMEN1KMT2A
SCHEMBL1961083 0.87 LMNA (0.68) LMNATP53MAPTMEN1KMT2A
SCHEMBL1961085 0.87 LMNA (0.68) LMNATP53MAPTMEN1KMT2A
SCHEMBL12553526 0.85 TP53 (0.67) LMNATP53MAPTMEN1KMT2A
SCHEMBL3587588 0.84 LMNA (0.65) LMNATP53MAPTMEN1KMT2A
SCHEMBL3587582 0.84 LMNA (0.65) LMNATP53MAPTMEN1KMT2A
SCHEMBL14532522 0.84 MAPT (0.67) LMNATP53MAPTMEN1KMT2A
SCHEMBL12581675 0.82 LMNA (0.63) LMNATP53MAPTMEN1KMT2A
SCHEMBL12616056 0.81 LMNA (0.65) LMNATP53MAPTMEN1KMT2A

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 14 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-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-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
US-20110144135-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES, INC. (US) 2011-06-16 US disclosed
US-7893260-B2 Substituted quinazolin-4-one compounds for antagonizing TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2011-02-22 US disclosed
US-7893260-B2 Substituted quinazolin-4-one compounds for antagonizing TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2011-02-22 US disclosed
US-20100152209-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES INC. (US) 2010-06-17 US disclosed
US-20100152209-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES INC. (US) 2010-06-17 US disclosed
US-20070179164-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2007-08-02 US disclosed
US-20070179164-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2007-08-02 US disclosed
US-20070179164-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2007-08-02 US disclosed
WO-2007056124-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2007-05-18 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 (4 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 LMNA 3054/4885TP53 4750/4885MAPT 1751/4885
US-20100152209-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 LMNA 3054/4885TP53 4750/4885MAPT 1751/4885
US-20070179164-A1 Compounds for modulating TRPV3 function TRPV3, TRPV1, TRPV4 LMNA 3054/4885TP53 4750/4885MAPT 1751/4885
US-20110144135-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 LMNA 3054/4885TP53 4750/4885MAPT 1751/4885

“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.