SCHEMBL16826098

SCHEMBL16826098

Nc1n[nH]c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ LMNA P02545 2/20 0.51
▸ POLB P06746 2/20 0.50
▸ DHFR P00374 1/20 0.50
▸ BRS3 P32247 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ CNR2 P34972 2/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ RBP4 P02753 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ BLM P54132 1/20 0.45

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
SCHEMBL16825734 0.82 ALDH1A1 (0.54) KDM4EALDH1A1GAAHTTPHGDH
SCHEMBL16825908 0.82 SIGMAR1 (0.57) KDM4EALDH1A1GAADHFRDRD4
SCHEMBL16826410 0.81 GAA (0.62) KDM4EALDH1A1GAALMNADRD4
SCHEMBL28144821 0.79 KDM4E (0.58) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL16825802 0.78 CHIA (0.52) GAAHTR1A
SCHEMBL27844459 0.77 KDM4E (0.53) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL16825882 0.77 GALR3 (0.45) SIGMAR1
SCHEMBL16825881 0.76 KDM4E (0.52) KDM4EGAABRS3DRD4HTR1A
SCHEMBL6862996 0.76 KDM4E (0.74) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL16825972 0.76 LMNA (0.51) KDM4EALDH1A1GAALMNAHTT

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 KDM4E 2405/4885ALDH1A1 1006/4885GAA 195/4885

“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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