SCHEMBL5447536

SCHEMBL5447536

O=NN(c1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.68
▸ SRD5A2 P31213 2/20 0.62
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ CES1 P23141 2/20 0.50
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CES2 O00748 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 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
SCHEMBL5450543 0.86 TSHR (0.69) TDP1SRD5A2MEN1KMT2ACES1
SCHEMBL5443855 0.84 ALDH1A1 (0.56) SRD5A2MEN1KMT2ACES1CA1
4-Nitrobenzoic Acid SCHEMBL43476 0.82 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
Terephthalic Acid SCHEMBL28023943 0.82 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL10439552 0.80 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL321099 0.80 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL9316553 0.80 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL1566327 0.80 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL10720762 0.80 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL8025368 0.80 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1

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-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 — — US claimed
EP-1687260-A1 NITROSO DERIVATIVES OF DIPHENYLAMINE MERCK PATENT GmbH (DE) 2006-08-09 — — EP claimed
WO-2005051896-A1 NITROSO DERIVATIVES OF DIPHENYLAMINE MERCK PATENT GMBH (DE) 2005-06-09 — — WO claimed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 — — 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-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 TDP1 2421/4885SRD5A2 605/4885MEN1 2301/4885

“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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