SCHEMBL2359474

SCHEMBL2359474

O=C(O)c1c([N+](=O)[O-])cc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.59
▸ CASP6 P55212 2/20 0.55
▸ CDK2 P24941 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TSHR P16473 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ APEX1 P27695 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HPRT1 P00492 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL2359326 0.88 CYP3A4 (0.47) CYP3A4CASP6CDK2ALDH1A1MEN1
SCHEMBL11416804 0.88 ALDH1A1 (0.56) CYP3A4CASP6CDK2ALDH1A1MEN1
SCHEMBL4275848 0.87 ALDH1A1 (0.59) CYP3A4CASP6CDK2ALDH1A1MEN1
SCHEMBL9827265 0.84 CYP3A4 (0.59) CYP3A4CASP6CDK2ALDH1A1MEN1
SCHEMBL9575821 0.82 CASP6 (0.53) CASP6TSHRTDP1APEX1CA1
SCHEMBL188171 0.80 CYP3A4 (0.71) CYP3A4CASP6CDK2ALDH1A1MEN1
SCHEMBL28554520 0.78 CASP6 (0.47) CYP3A4CASP6CDK2ALDH1A1MEN1
SCHEMBL16602089 0.77 CA1 (0.56) CASP6KMT2ACYP1A2TSHRTDP1
SCHEMBL9636835 0.77 CYP3A4 (0.53) CYP3A4CASP6CDK2ALDH1A1MEN1
SCHEMBL2312934 0.77 POLB (0.50) CASP6ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835677-B2 Methods for producing aminonitrobenzoic acids PERKINELMER HEALTH SCIENCES, INC. (US) 2014-09-16 — — US 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

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 CYP3A4 432/4885CASP6 793/4885CDK2 1965/4885

“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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