SCHEMBL16825943

SCHEMBL16825943

CS/C(=N\C#N)N1CCN(C(=O)C(C)Oc2ccc(C)cc2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALDH1A1 P00352 9/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ 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
▸ PABPC1 P11940 1/20 0.37
▸ EIF4H Q15056 1/20 0.37
▸ 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
SCHEMBL16825944 1.00 MAPT (0.51) MAPTSMN1; SMN2HTTLMNAALOX12
SCHEMBL16825921 0.92 ALDH1A1 (0.47) MAPTSMN1; SMN2HTTLMNAALOX12
SCHEMBL16825920 0.92 ALDH1A1 (0.47) MAPTSMN1; SMN2HTTLMNAALOX12
SCHEMBL16826217 0.87 ALDH1A1 (0.55) MAPTSMN1; SMN2HTTLMNAALOX12
SCHEMBL16826218 0.87 ALDH1A1 (0.55) MAPTSMN1; SMN2HTTLMNAALOX12
SCHEMBL21674279 0.85 ALDH1A1 (0.50) MAPTHTTALDH1A1KDM4EL3MBTL1
SCHEMBL16825865 0.84 ALDH1A1 (0.51) MAPTSMN1; SMN2HTTLMNAALOX12
SCHEMBL16825867 0.84 ALDH1A1 (0.51) MAPTSMN1; SMN2HTTLMNAALOX12
SCHEMBL16825692 0.79 MAPT (0.49) MAPTSMN1; SMN2HTTLMNAALOX12
SCHEMBL16825694 0.79 MAPT (0.49) MAPTSMN1; SMN2HTTLMNAALOX12

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 MAPT 2060/4885SMN1; SMN2 4335/4885HTT 4729/4885

“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.

Send feedback