SCHEMBL16825868

SCHEMBL16825868

CCc1ccc(OC(C)C(=O)N2CCN(C(=NC#N)SC)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ THRB P10828 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 5/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 1/20 0.37

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
SCHEMBL16825866 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ETHRBTP53KMT2A
SCHEMBL21674279 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL18135540 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL18135538 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL16846182 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL16846221 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL16825694 0.82 MAPT (0.49) ALDH1A1KDM4ETP53KMT2AMEN1
SCHEMBL16825692 0.82 MAPT (0.49) ALDH1A1KDM4ETP53KMT2AMEN1
SCHEMBL16825867 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL16825865 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT

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 4 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-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 ALDH1A1 1006/4885KDM4E 2405/4885THRB 3700/4885

“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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