SCHEMBL16825920

SCHEMBL16825920

CS/C(=N\C#N)N1CCN(C(=O)C(C)Oc2cc(C)ccc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 6/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL16825921 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16825943 0.92 MAPT (0.51) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16825944 0.92 MAPT (0.51) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16826218 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16826217 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL21674279 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16825867 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16825865 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16825694 0.79 MAPT (0.49) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16825692 0.79 MAPT (0.49) ALDH1A1KDM4EMAPTL3MBTL1MEN1

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-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 ALDH1A1 1006/4885KDM4E 2405/4885MAPT 2060/4885

“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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