SCHEMBL5447234

SCHEMBL5447234

O=NN(c1ccc(C(=O)O)cc1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TAS2R14 Q9NYV8 2/20 0.47
▸ RXRA P19793 3/20 0.47
▸ RXRB P28702 3/20 0.47
▸ RXRG P48443 2/20 0.47
▸ TSHR P16473 1/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ PTPRG P23470 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ SRD5A2 P31213 2/20 0.40
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 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
SCHEMBL5442604 0.82 ALDH1A1 (0.47) ALOX15ALDH1A1TAS2R14TSHRNPC1
SCHEMBL5440855 0.82 ALDH1A1 (0.47) ALOX15ALDH1A1TAS2R14RXRARXRB
SCHEMBL5443855 0.82 ALDH1A1 (0.56) ALOX15ALDH1A1TSHRNPC1SRD5A2
SCHEMBL5440611 0.81 ALDH1A1 (0.46) ALOX15ALDH1A1TSHRNPC1SRD5A2
SCHEMBL5442747 0.79 ALDH1A1 (0.43) ALOX15ALDH1A1TSHRRAB9APTPRC
SCHEMBL5449085 0.78 ALDH1A1 (0.43) ALOX15ALDH1A1TAS2R14NPC1MEN1
SCHEMBL5450787 0.78 ALDH1A1 (0.46) ALOX15ALDH1A1NPC1RAB9AMEN1
SCHEMBL5447510 0.76 ALDH1A1 (0.47) ALOX15ALDH1A1NR4A2MEN1KMT2A
SCHEMBL5445995 0.76 NR3C1 (0.44) ALOX15ALDH1A1TSHRRAB9AMEN1
SCHEMBL5443841 0.74 MAPT (0.47) ALOX15ALDH1A1TSHRNPC1RAB9A

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 ALOX15 599/4885ALDH1A1 365/4885TAS2R14 3162/4885

“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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