SCHEMBL16825745

SCHEMBL16825745

CC(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2nc(N)n[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ADORA2A P29274 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ DRD2 P14416 1/20 0.39

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
SCHEMBL16825799 1.00 KMT2A (0.45) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825741 1.00 KMT2A (0.45) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825645 0.89 ALDH1A1 (0.54) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825644 0.89 ALDH1A1 (0.54) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16846220 0.89 ALDH1A1 (0.54) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825874 0.88 THRB (0.48) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16826074 0.87 TSHR (0.48) KMT2AHSD17B10DRD2DRD3ROCK2
SCHEMBL18135539 0.84 ADORA3 (0.41) KMT2AALDH1A1LMNASMN1; SMN2ADORA2A
SCHEMBL16825682 0.83 ADORA2A (0.44) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825978 0.81 SIGMAR1 (0.52) KMT2AALOX15MAPTDRD2DRD3

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 8 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
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 KMT2A 1919/4885ALDH1A1 1006/4885ALOX15 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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