SCHEMBL5445794

SCHEMBL5445794

CS(=O)(=O)c1ccc(N(N=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CA12 O43570 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46
▸ ABCC2 Q92887 1/20 0.46
▸ SLC22A12 Q96S37 1/20 0.46
▸ UGT1A7 Q9HAW7 1/20 0.46
▸ SLC22A11 Q9NSA0 1/20 0.46
▸ TAS2R14 Q9NYV8 2/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 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
SCHEMBL5443855 0.84 ALDH1A1 (0.56) KMT2AALDH1A1CA12CA2CA9
SCHEMBL34837 0.82 CA2 (0.61) KMT2AALDH1A1CA12CA2CA9
Hydrochloric Acid SCHEMBL11213950 0.80 CA2 (0.59) KMT2AALDH1A1CA12CA2CA9
SCHEMBL5447524 0.80 PTGS2 (0.46) CA2ALOX5
SCHEMBL5443481 0.80 KMT2A (0.50) KMT2AALDH1A1CA12CA2CA9
SCHEMBL5443841 0.80 MAPT (0.47) KMT2AALDH1A1RAB9ASMN1; SMN2MCL1
SCHEMBL2349058 0.77 CA12 (0.66) KMT2AALDH1A1CA12CA2CA9
SCHEMBL5436479 0.76 BCL2L1 (0.57) KMT2AALDH1A1CA2TAS2R14CA1
SCHEMBL5445801 0.75 TAS2R14 (0.47) KMT2AALDH1A1RAB9ASMN1; SMN2TAS2R14
SCHEMBL5445817 0.75 CA1 (0.67) ALDH1A1CA2RAB9ASMN1; SMN2TAS2R14

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 KMT2A 2322/4885ALDH1A1 365/4885CA12 3617/4885

“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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