SCHEMBL16826292

SCHEMBL16826292

C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ ALOX15 P16050 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL16825685 1.00 HPGD (0.52) HPGDKMT2AALOX15HSD17B10SMN1; SMN2
SCHEMBL16825683 1.00 HPGD (0.52) HPGDKMT2AALOX15HSD17B10SMN1; SMN2
SCHEMBL19479111 0.87 HPGD (0.68) HPGDKMT2AALOX15HSD17B10SMN1; SMN2
SCHEMBL16825743 0.86 ALDH1A1 (0.64) HPGDKMT2AALOX15HSD17B10SMN1; SMN2
SCHEMBL16825740 0.86 ALDH1A1 (0.64) HPGDKMT2AALOX15HSD17B10SMN1; SMN2
SCHEMBL16825812 0.86 ALDH1A1 (0.64) HPGDKMT2AALOX15HSD17B10SMN1; SMN2
SCHEMBL16442332 0.85 ALOX15 (0.59) HPGDKMT2AALOX15HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL3645077 0.84 HPGD (0.51) HPGDKMT2AALOX15HSD17B10LMNA
SCHEMBL16826429 0.84 ALOX15 (0.54) HPGDKMT2AALOX15HSD17B10SMN1; SMN2
SCHEMBL16825919 0.83 THRB (0.53) HPGDKMT2AALOX15HSD17B10LMNA

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 9 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
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-07-16 — — 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 (2 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 HPGD 895/4885KMT2A 1919/4885ALOX15 842/4885
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, HTR1A HPGD 227/4885KMT2A 4420/4885ALOX15 790/4885

“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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