SCHEMBL5443855

SCHEMBL5443855

O=NN(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ TSHR P16473 3/20 0.55
▸ TP53 P04637 1/20 0.55
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ SRD5A2 P31213 3/20 0.48
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA3 P07451 1/20 0.46
▸ TYR P14679 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46

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
SCHEMBL5436479 0.90 BCL2L1 (0.57) ALDH1A1ALOX15TSHRTP53KMT2A
SCHEMBL5443841 0.90 MAPT (0.47) ALDH1A1ALOX15TSHRTP53KMT2A
SCHEMBL5445782 0.86 SRD5A2 (0.61) ALDH1A1ALOX15KMT2AMEN1NPC1
SCHEMBL5442610 0.86 TAS2R14 (0.47) ALDH1A1ALOX15TSHRTP53KMT2A
SCHEMBL5445801 0.86 TAS2R14 (0.47) ALDH1A1ALOX15TSHRTP53KMT2A
SCHEMBL5445817 0.86 CA1 (0.67) ALDH1A1NPC1POLBCA1CA2
SCHEMBL5447536 0.84 TDP1 (0.68) ALDH1A1TSHRKMT2AMEN1POLB
SCHEMBL5445794 0.84 KMT2A (0.49) ALDH1A1KMT2AMEN1NPC1POLB
SCHEMBL5445025 0.83 HTT (0.51) ALDH1A1TSHRTP53KMT2AMEN1
SCHEMBL5447234 0.82 ALOX15 (0.47) ALDH1A1ALOX15TSHRKMT2AMEN1

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 6 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
EP-1687260-A1 NITROSO DERIVATIVES OF DIPHENYLAMINE MERCK PATENT GmbH (DE) 2006-08-09 — — EP disclosed
WO-2005051896-A1 NITROSO DERIVATIVES OF DIPHENYLAMINE MERCK PATENT GMBH (DE) 2005-06-09 — — WO 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 ALDH1A1 365/4885ALOX15 599/4885TSHR 1707/4885

“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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