SCHEMBL16825812

SCHEMBL16825812

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HPGD P15428 2/20 0.52
▸ ALOX15 P16050 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ LDHA P00338 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
SCHEMBL16825740 1.00 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL16825743 1.00 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL19479111 0.87 HPGD (0.68) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL16825683 0.86 HPGD (0.52) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL16826292 0.86 HPGD (0.52) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL16825685 0.86 HPGD (0.52) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL16442332 0.85 ALOX15 (0.59) ALDH1A1KMT2ASMN1; SMN2HPGDALOX15
Hydrochloric Acid SCHEMBL3645077 0.84 HPGD (0.51) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL16826397 0.84 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL16825919 0.83 THRB (0.53) ALDH1A1KMT2AMEN1GAAL3MBTL1

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 1006/4885KMT2A 1919/4885MEN1 2231/4885

“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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