SCHEMBL1471179

SCHEMBL1471179

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 5/20 0.46
KAT2B Q92831 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSD P07339 1/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
PLAU P00749 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40

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
SCHEMBL8796187 0.87 CYP1A2 (0.47) CYP1A2TSHRALDH1A1KAT2BHSD17B10
SCHEMBL4578481 0.84 TSHR (0.47) CYP1A2TSHRALDH1A1KAT2BCTSD
SCHEMBL16809212 0.84 ALDH1A1 (0.49) CYP1A2TSHRALDH1A1HSD17B10CTSD
Hydrochloric Acid SCHEMBL5816350 0.82 KAT2B (0.50) CYP1A2TSHRALDH1A1KAT2BHSD17B10
SCHEMBL7153686 0.81 CYP1A2 (0.53) CYP1A2TSHRALDH1A1KAT2BHSD17B10
SCHEMBL12232402 0.81 CYP1A2 (0.53) CYP1A2TSHRALDH1A1KAT2BHSD17B10
SCHEMBL16805954 0.81 ALDH1A1 (0.46) CYP1A2TSHRALDH1A1HSD17B10CTSD
SCHEMBL15245035 0.81 ALDH1A1 (0.46) CYP1A2TSHRALDH1A1HSD17B10CTSD
SCHEMBL9098602 0.80 KAT2B (0.47) CYP1A2TSHRALDH1A1KAT2BHSD17B10
SCHEMBL7775829 0.80 CYP1A2 (0.58) CYP1A2TSHRALDH1A1HSD17B10CTSD

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
WO-2021105916-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-06-03 WO disclosed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US disclosed
WO-2003026666-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO)-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, AS SRC KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 CYP1A2 2066/4885TSHR 1678/4885ALDH1A1 952/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 CYP1A2 2066/4885TSHR 1678/4885ALDH1A1 952/4885

“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.