SCHEMBL16825919

SCHEMBL16825919

CCc1ccc(OC(C)C(=O)N2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 2/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ FKBP1A P62942 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41

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
SCHEMBL19479111 0.85 HPGD (0.68) HPGDKMT2AMEN1GAAALOX15
SCHEMBL16826292 0.83 HPGD (0.52) HPGDKMT2AMEN1GAAALOX15
SCHEMBL16825685 0.83 HPGD (0.52) HPGDKMT2AMEN1GAAALOX15
SCHEMBL16825683 0.83 HPGD (0.52) HPGDKMT2AMEN1GAAALOX15
SCHEMBL16825743 0.83 ALDH1A1 (0.64) HPGDKMT2AMEN1GAAALOX15
SCHEMBL16825812 0.83 ALDH1A1 (0.64) HPGDKMT2AMEN1GAAALOX15
SCHEMBL16825740 0.83 ALDH1A1 (0.64) HPGDKMT2AMEN1GAAALOX15
SCHEMBL16442332 0.83 ALOX15 (0.59) HPGDKMT2AALOX15HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL3645077 0.82 HPGD (0.51) HPGDKMT2AMEN1GAAALOX15
SCHEMBL8029862 0.79 SMN1; SMN2 (0.58) THRBTP53KMT2AMEN1ALOX15

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 THRB 3700/4885TP53 3200/4885HPGD 895/4885

“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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