SCHEMBL16825748

SCHEMBL16825748

Nc1n[nH]c(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ CASP1 P29466 1/20 0.56
▸ CASP4 P49662 1/20 0.56
▸ CASP5 P51878 1/20 0.56
▸ ALDH1A1 P00352 9/20 0.54
▸ KDM4E B2RXH2 7/20 0.54
▸ ACHE P22303 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ ABCC1 P33527 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL11196682 0.81 POLB (0.60) MEN1KMT2APOLBCASP1CASP4
SCHEMBL12511057 0.79 ACHE (0.74) MEN1KMT2APOLBCASP1CASP4
SCHEMBL16826091 0.79 POLB (0.56) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL16825859 0.79 KMT2A (0.52) MEN1KMT2AALDH1A1KDM4EACHE
SCHEMBL16826046 0.78 GPR84 (0.54) KDM4EACHEHTTDRD4
SCHEMBL16826410 0.76 GAA (0.62) MEN1KMT2ACASP1CASP5ALDH1A1
SCHEMBL2372693 0.74 ACHE (0.70) MEN1KMT2APOLBCASP1CASP4
SCHEMBL4586698 0.73 ACHE (0.69) MEN1KMT2APOLBCASP1CASP4
SCHEMBL9621558 0.73 ACHE (0.65) MEN1KMT2APOLBCASP1CASP4
SCHEMBL14351628 0.72 ACHE (0.68) MEN1KMT2APOLBCASP1CASP4

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 7 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-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
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 MEN1 2231/4885KMT2A 1919/4885POLB 3344/4885

“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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