SCHEMBL936742

SCHEMBL936742

COc1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
RAF1 P04049 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
MERTK Q12866 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL9799821 0.87 TDP1 (0.62) TDP1ALDH1A1MAPK1MAPTLMNA
SCHEMBL13721530 0.87 TDP1 (0.57) TDP1ALDH1A1MAPK1MAPTLMNA
SCHEMBL3840814 0.84 TDP1 (0.48) TDP1ALDH1A1MAPK1MAPTTSHR
SCHEMBL34473595 0.82 TDP1 (0.47) TDP1ALDH1A1MAPK1MAPTLMNA
SCHEMBL34472553 0.82 TDP1 (0.47) TDP1ALDH1A1MAPK1MAPTLMNA
SCHEMBL29091577 0.82 TDP1 (0.47) TDP1ALDH1A1MAPK1MAPTLMNA
SCHEMBL6576154 0.80 TDP1 (0.53) TDP1ALDH1A1MAPK1MAPTLMNA
SCHEMBL3839293 0.80 ALDH1A1 (0.49) TDP1ALDH1A1MAPTLMNAMERTK
SCHEMBL19783654 0.79 TDP1 (0.52) TDP1ALDH1A1MAPK1MAPTLMNA
SCHEMBL15538632 0.78 VCAM1 (0.47) TDP1ALDH1A1MAPK1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454329-B1 FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER INC (US) 2018-04-18 EP disclosed
US-8772501-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2014-07-08 US disclosed
US-20130131324-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2013-05-23 US disclosed
US-8367842-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2013-02-05 US disclosed
EP-2454329-A1 NOVEL FLUORESCENT DYES AND USES THEREOF Beckman Coulter, Inc. (US) 2012-05-23 EP disclosed
US-20110014599-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2011-01-20 US disclosed
WO-2011008912-A1 NOVEL FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER, INC. (US) 2011-01-20 WO disclosed
EP-0034945-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-08-07 EP disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US disclosed
EP-0034945-A2 N-phenylpyrazole derivatives MAY & BAKER LIMITED (GB) 1981-09-02 EP 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-20130131324-A1 Novel Fluorescent Dyes and Uses Thereof GUSB, CHLSN, NQO1 TDP1 2019/4885ALDH1A1 480/4885MAPK1 4867/4885
US-20110014599-A1 Novel Fluorescent Dyes and Uses Thereof GUSB, CHLSN, NQO1 TDP1 2019/4885ALDH1A1 480/4885MAPK1 4867/4885

“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.