SCHEMBL16825874

SCHEMBL16825874

CCc1ccc(OC(C)C(=O)N2CCN(c3nc(N)n[nH]3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA2B P29275 2/20 0.37

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
SCHEMBL16825645 0.88 ALDH1A1 (0.54) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825745 0.88 KMT2A (0.45) TP53KMT2AALDH1A1ALOX15HSD17B10
SCHEMBL16825799 0.88 KMT2A (0.45) TP53KMT2AALDH1A1ALOX15HSD17B10
SCHEMBL16825644 0.88 ALDH1A1 (0.54) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825741 0.88 KMT2A (0.45) TP53KMT2AALDH1A1ALOX15HSD17B10
SCHEMBL16846220 0.88 ALDH1A1 (0.54) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825659 0.83 TP53 (0.41) THRBTP53KMT2AALDH1A1ALOX15
SCHEMBL16825682 0.82 ADORA2A (0.44) TP53KMT2AALDH1A1ALOX15HSD17B10
SCHEMBL16825981 0.79 TSHR (0.48) KMT2AALDH1A1HSD17B10MEN1GAA
SCHEMBL16826074 0.79 TSHR (0.48) KMT2AHSD17B10MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP claimed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US claimed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO claimed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC THRB 3700/4885TP53 3200/4885KMT2A 1919/4885

“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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