SCHEMBL1963164

SCHEMBL1963164

Cc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
KCNMA1 Q12791 2/20 0.62
ALDH1A1 P00352 4/20 0.61
LMNA P02545 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RORC P51449 1/20 0.60
RAB9A P51151 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CTSD P07339 1/20 0.58

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
SCHEMBL7157820 0.89 CRHBP (0.83) KMT2AMEN1CRHBPCRHR2KCNMA1
SCHEMBL5181163 0.88 KMT2A (0.76) KMT2AMEN1CRHBPCRHR2KCNMA1
SCHEMBL394289 0.87 KCNMA1 (0.79) KMT2AMEN1KCNMA1ALDH1A1HTT
SCHEMBL4958316 0.86 KCNMA1 (0.64) KMT2AMEN1CRHBPCRHR2KCNMA1
SCHEMBL4958325 0.86 KCNMA1 (0.64) KMT2AMEN1CRHBPCRHR2KCNMA1
SCHEMBL12230498 0.86 LMNA (0.64) KMT2AMEN1KCNMA1ALDH1A1LMNA
SCHEMBL1962194 0.85 KCNMA1 (0.75) KMT2AMEN1CRHBPCRHR2KCNMA1
SCHEMBL16583563 0.84 TDP1 (0.60) KMT2AMEN1CRHBPCRHR2KCNMA1
SCHEMBL7722700 0.83 ALDH1A1 (0.68) KMT2AMEN1KCNMA1ALDH1A1KDM4E
SCHEMBL28069367 0.83 KCNMA1 (0.78) KMT2AMEN1KCNMA1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104513235-A Substituted aminopyrimidine compound and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-04-15 CN 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-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-20100152209-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES INC. (US) 2010-06-17 US disclosed
EP-1954283-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION Hydra Biosciences, Inc. (US) 2008-08-13 EP 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 KMT2A 4347/4885MEN1 4683/4885CRHBP 564/4885
US-20100152209-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 KMT2A 4347/4885MEN1 4683/4885CRHBP 564/4885
US-20070179164-A1 Compounds for modulating TRPV3 function TRPV3, TRPV1, TRPV4 KMT2A 4347/4885MEN1 4683/4885CRHBP 564/4885
US-20110144135-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 KMT2A 4347/4885MEN1 4683/4885CRHBP 564/4885

“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.