SCHEMBL16825765

SCHEMBL16825765

Nc1n[nH]c(N2CCN(C(=O)COc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ HTR1D P28221 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CHIA Q9BZP6 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL16825823 0.82 POLB (0.61) ENPP2SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL16825789 0.80 NPC1 (0.61) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL16826413 0.78 CHIA (0.69) ALDH1A1MAPTLMNACHIAGAA
SCHEMBL16825696 0.78 MEN1 (0.62) SMN1; SMN2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL5061387 0.77 SMN1; SMN2 (0.70) ENPP2SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL16825878 0.75 NPC1 (0.53) ENPP2SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL5056139 0.72 SMN1; SMN2 (0.71) ENPP2SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL11188562 0.69 MCL1 (0.59) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL10986064 0.68 MAPT (0.53) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL16825748 0.66 MEN1 (0.60) SMN1; SMN2ALDH1A1LMNA

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 ENPP2 1465/4885SMN1; SMN2 4335/4885ALDH1A1 1006/4885

“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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