SCHEMBL10201532

SCHEMBL10201532

O=C(Cl)c1cc([N+](=O)[O-])c(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 8/20 0.42
PADI4 Q9UM07 1/20 0.41
USP47 Q96K76 5/20 0.40
VCAM1 P19320 1/20 0.40
GPR35 Q9HC97 3/20 0.39
DAO P14920 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1456043 0.85 DAO (0.55) USP7PADI4USP47VCAM1GPR35
SCHEMBL2681454 0.84 USP7 (0.58) USP7PADI4USP47VCAM1GPR35
SCHEMBL424946 0.80 USP10 (0.47) USP7PADI4USP47VCAM1MAPT
SCHEMBL1455300 0.76 USP10 (0.56) MAPTLMNANPSR1ALDH1A1
SCHEMBL10545492 0.75 POLB (0.42) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL10547580 0.75 ALDH1A1 (0.45) VCAM1MAPTLMNACYP1A2CYP3A4
SCHEMBL660245 0.74 TSHR (0.44) VCAM1GPR35DAOCYP3A4TSHR
SCHEMBL2679995 0.74 THRB (0.42) USP7PADI4USP47MAPTLMNA
SCHEMBL2680426 0.73 ALDH1A1 (0.54) VCAM1LMNAHTTTSHRALDH1A1
Hydrochloric Acid SCHEMBL2680261 0.73 THRB (0.41) USP7PADI4USP47MAPTLMNA

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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 USP7 4337/4885PADI4 4662/4885USP47 3679/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 USP7 4337/4885PADI4 4662/4885USP47 3679/4885

“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.