SCHEMBL16826206

SCHEMBL16826206

Cc1ccc(C)c(CN2CCN(c3nc(N)n[nH]3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.42
▸ HPGD P15428 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ CYBB P04839 2/20 0.40
▸ NOX4 Q9NPH5 2/20 0.40
▸ NOX5 Q96PH1 1/20 0.40
▸ NOX3 Q9HBY0 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GPR6 P46095 1/20 0.39
▸ COMT P21964 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 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
SCHEMBL16825859 0.85 KMT2A (0.52) LMNAHTTKDM4EALDH1A1
SCHEMBL16826194 0.82 ALDH1A1 (0.50) LMNAHTTALDH1A1POLBMAPK1
SCHEMBL16826054 0.81 DHFR (0.37) ALOX15DRD4CYBBNOX4NOX5
SCHEMBL16825734 0.80 ALDH1A1 (0.54) HTTKDM4EALDH1A1GPR6
SCHEMBL16825726 0.75 LMNA (0.52) TP53LMNAKDM4EPOLB
SCHEMBL16826091 0.74 POLB (0.56) LMNAHTTKDM4EALDH1A1POLB
SCHEMBL16826046 0.73 GPR84 (0.54) DRD4HTTKDM4EMAPK1OPRM1
SCHEMBL10702451 0.73 COMT (0.51) TP53HPGDALOX15LMNADRD4
SCHEMBL16826410 0.73 GAA (0.62) HPGDLMNADRD4HTTKDM4E
SCHEMBL16825972 0.73 LMNA (0.51) HPGDLMNAHTTKDM4EALDH1A1

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 TP53 3200/4885HPGD 895/4885ALOX15 842/4885

“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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