SCHEMBL3590165

SCHEMBL3590165

O=[N+]([O-])c1ccc(CCS(=O)(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
GPR35 Q9HC97 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL31714439 0.86 HSD17B10 (0.51) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7658698 0.85 CYP1A2 (0.55) CYP1A2TDP1ALDH1A1MAPK1HIF1A
SCHEMBL7782688 0.84 MAPK1 (0.47) ALDH1A1MAPK1TSHRSMN1; SMN2MEN1
SCHEMBL7784575 0.84 CYP1A2 (0.58) CYP1A2TDP1ALDH1A1MAPK1HIF1A
SCHEMBL7784570 0.84 CYP1A2 (0.58) CYP1A2TDP1ALDH1A1MAPK1HIF1A
SCHEMBL27961047 0.82 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1MAPK1HIF1A
SCHEMBL7783341 0.80 CYP1A2 (0.60) CYP1A2TDP1ALDH1A1MAPK1HIF1A
SCHEMBL10890268 0.79 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1MAPK1HIF1A
SCHEMBL10891708 0.79 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1MAPK1HIF1A
SCHEMBL7783353 0.78 ALDH1A1 (0.59) ALDH1A1MAPK1HPGDTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
EP-0901501-B1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2001-10-17 EP disclosed
US-6153744-A LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON A DNA CHIP WOLFGANG PFLEIDERER (DE) 2000-11-28 US disclosed
EP-0901501-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1999-03-17 EP disclosed
WO-1997044345-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1997-11-27 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 (1 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CYP1A2 145/4885TDP1 4591/4885ALDH1A1 1904/4885

“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.