SCHEMBL1755097

SCHEMBL1755097

Cc1ccc(N)c(S(=O)(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ ALDH1A1 P00352 8/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ RECQL P46063 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ PLCG1 P19174 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ APEX1 P27695 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
SCHEMBL10393914 0.87 TSHR (0.46) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL2314823 0.81 TSHR (0.49) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL11520845 0.80 TSHR (0.47) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL11579509 0.76 ALDH1A1 (0.42) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL938653 0.76 TSHR (0.57) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL11095255 0.75 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL11802146 0.75 TSHR (0.49) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL3192233 0.75 GAA (0.47) TSHRALDH1A1GAANSD2PLCG1
SCHEMBL8752103 0.74 ALDH1A1 (0.38) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL27966646 0.74 ALDH1A1 (0.54) TSHRCYP3A4ALDH1A1TDP1RECQL

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-2349980-B1 Process for preparing 2-amino-6-nitro-benzoic acid PERKINELMER HEALTH SCI INC (US) 2018-09-26 — — EP disclosed
EP-2441805-B1 Black disazo dyes, their preparation and their use REX TONE IND LTD (IN) 2016-07-20 — — EP disclosed
US-8835677-B2 Methods for producing aminonitrobenzoic acids PERKINELMER HEALTH SCIENCES, INC. (US) 2014-09-16 — — US disclosed
US-8834620-B2 Black disazo dyes, their preparation and use ILFORD IMAGING SWITZERLAND GMBH (CH) 2014-09-16 — — US disclosed
US-20120090503-A1 BLACK DISAZO DYES, THEIR PREPARATION AND USE ILFORD IMAGING SWITZERLAND GMBH 2012-04-19 — — US disclosed
EP-2441805-A1 Black disazo dyes, their preparation and their use ILFORD Imaging Switzerland GmbH (CH) 2012-04-18 — — EP disclosed
EP-2349980-A2 METHODS FOR PRODUCING AMINONITROBENZOIC ACIDS PerkinElmer Health Sciences, Inc. (US) 2011-08-03 — — EP disclosed
WO-2010045352-A2 METHODS FOR PRODUCING AMINONITROBENZOIC ACIDS PERKINELMER HEALTH SCIENCES, INC. (US) 2010-04-22 — — WO disclosed
US-20100094046-A1 METHODS FOR PRODUCING AMINONITROBENZOIC ACIDS REVVITY HEALTH SCIENCES, INC. 2010-04-15 — — US disclosed
US-20080075686-A1 Deodorizer and method for using the same TOTO LTD. (JP) 2008-03-27 — — 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 (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-20100094046-A1 METHODS FOR PRODUCING AMINONITROBENZOIC ACIDS AADAT, DDC, DAO TSHR 3799/4885CYP3A4 432/4885ALDH1A1 286/4885

“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.

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