SCHEMBL5445801

SCHEMBL5445801

CSc1ccc(N(N=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ PLK1 P53350 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ NSD2 O96028 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ RAB9A P51151 2/20 0.38

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
SCHEMBL5443855 0.86 ALDH1A1 (0.56) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL27422 0.82 TSHR (0.60) TAS2R14PLK1ALDH1A1ALOX15TSHR
SCHEMBL5443841 0.81 MAPT (0.47) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL27890905 0.80 TSHR (0.57) TAS2R14PLK1ALDH1A1ALOX15TSHR
SCHEMBL5436479 0.77 BCL2L1 (0.57) TAS2R14MEN1KMT2ANPC1POLB
SCHEMBL5445817 0.77 CA1 (0.67) TAS2R14NPC1POLBALDH1A1SMN1; SMN2
SCHEMBL2707464 0.76 HPGD (0.56) TAS2R14PLK1ALDH1A1TSHRTP53
SCHEMBL3640502 0.76 HAO1 (0.61) TAS2R14PLK1ALDH1A1TSHRTP53
SCHEMBL5445794 0.75 KMT2A (0.49) TAS2R14MEN1KMT2ANPC1POLB
SCHEMBL1548149 0.75 TRPA1 (0.62) TAS2R14MEN1KMT2ANPC1POLB

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 5 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
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 TAS2R14 3162/4885MEN1 2301/4885KMT2A 2322/4885

“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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