SCHEMBL15528795

SCHEMBL15528795

CC(C)(C)OC(=O)N(N)c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.32
PRMT1 Q99873 1/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NR3C2 P08235 1/20 0.31
PAX8 Q06710 1/20 0.31
NR1D1 P20393 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL1099223 0.85 PAX8 (0.41) MAPTSMN1; SMN2CYP2C19AURKARPS6KB1
SCHEMBL1097623 0.82 MLYCD (0.39) MAPTSMN1; SMN2CYP2C19AURKARPS6KB1
SCHEMBL1099324 0.82 USP30 (0.40) MAPTSMN1; SMN2CYP2C19AURKARPS6KB1
SCHEMBL1097539 0.80 F2 (0.36) MAPTSMN1; SMN2CYP2C19AURKARPS6KB1
SCHEMBL1098848 0.80 MAPT (0.36) MAPTSMN1; SMN2CYP2C19RAB9APOLB
SCHEMBL15528455 0.79 MAPT (0.39) MAPTSMN1; SMN2RAB9APOLBALDH1A1
SCHEMBL1794562 0.78 F2 (0.39) MAPTSMN1; SMN2CYP2C19AURKARPS6KB1
SCHEMBL2529611 0.76 MT-CO2 (0.42) MAPTRAB9ANPC1PAX8
SCHEMBL12185886 0.76 PAX8 (0.39) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL30182335 0.75 GRM2 (0.38) MAPTSMN1; SMN2CYP2C19NR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
EP-2844656-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 EP disclosed
WO-2013164773-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 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 (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-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 MAPT 2296/4885SMN1; SMN2 2678/4885CYP2C19 779/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 MAPT 2296/4885SMN1; SMN2 2678/4885CYP2C19 779/4885

“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.