SCHEMBL17355402

SCHEMBL17355402

O=[N+]([O-])c1ccc2c([N+](=O)[O-])cccc2c1S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.60
CTSB P07858 1/20 0.50
ALDH1A1 P00352 7/20 0.49
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
HPGD P15428 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PNMT P11086 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 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
SCHEMBL10424569 0.87 CTSB (0.56) TDP1CTSBALDH1A1HPGDKMT2A
SCHEMBL11294575 0.87 TTR (0.47) TDP1CTSBALDH1A1HPGDKMT2A
SCHEMBL668582 0.84 GPR35 (0.56) TDP1ALDH1A1KMT2AMEN1GPR35
SCHEMBL28031898 0.82 GPR35 (0.54) TDP1ALDH1A1KMT2AMEN1GPR35
SCHEMBL669107 0.80 ALDH1A1 (0.53) TDP1CTSBALDH1A1KMT2AMEN1
SCHEMBL31132059 0.80 ALDH1A1 (0.53) TDP1CTSBALDH1A1KMT2AMEN1
SCHEMBL2547051 0.79 TDP1 (0.64) TDP1CTSBALDH1A1NCOA1NCOA3
SCHEMBL6846085 0.79 KMT2A (0.55) TDP1ALDH1A1KMT2AMEN1GPR35
SCHEMBL6846086 0.79 KMT2A (0.55) TDP1ALDH1A1KMT2AMEN1GPR35
Hydrochloric Acid SCHEMBL11756182 0.79 ALDH1A1 (0.51) TDP1CTSBALDH1A1HPGDKMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
EP-3150643-B1 TRIPHENYLMETHANE-BASED COLORED COMPOSITION WAKO PURE CHEM IND LTD (JP) 2017-12-27 EP disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 US disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 US disclosed
EP-3235876-A1 QUENCHER Wako Pure Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
US-20170190818-A1 TRIPHENYLMETHANE-BASED COLORED COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-06 US disclosed
US-20170190818-A1 TRIPHENYLMETHANE-BASED COLORED COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-06 US disclosed
US-20170145216-A1 RHODAMINE-BASED COLORING COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-25 US disclosed
US-20170145216-A1 RHODAMINE-BASED COLORING COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-25 US disclosed
US-20170137553-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-18 US disclosed
EP-3150643-A1 TRIPHENYLMETHANE-BASED COLORED COMPOSITION Wako Pure Chemical Industries, Ltd. (JP) 2017-04-05 EP disclosed
EP-2957578-B1 COLORED COMPOSITION WAKO PURE CHEM IND LTD (JP) 2017-03-22 EP disclosed
EP-3124551-A1 RHODAMINE-BASED COLORING COMPOSITION Wako Pure Chemical Industries, Ltd. (JP) 2017-02-01 EP disclosed
US-20170015765-A1 CYANINE COLORING COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-19 US disclosed
US-20170015765-A1 CYANINE COLORING COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-19 US disclosed
EP-3115420-A1 CYANINE COLORING COMPOSITION Wako Pure Chemical Industries, Ltd. (JP) 2017-01-11 EP disclosed
WO-2016098889-A1 QUENCHER 和光純薬工業株式会社 2016-06-23 WO disclosed
US-20160040013-A1 COLORED COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-11 US disclosed
US-20160040013-A1 COLORED COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-11 US disclosed
EP-2957578-A1 COLORED COMPOSITION Wako Pure Chemical Industries, Ltd. (JP) 2015-12-23 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-20170015765-A1 CYANINE COLORING COMPOSITION ABCC1, IK, KATNAL2 TDP1 1436/4885CTSB 2385/4885ALDH1A1 778/4885
US-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 TDP1 1772/4885CTSB 4409/4885ALDH1A1 365/4885

“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.