SCHEMBL16846219

SCHEMBL16846219

C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ALOX15 P16050 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ P2RX7 Q99572 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 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
SCHEMBL16825643 1.00 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL16825755 1.00 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL19479109 0.88 HPGD (0.62) ALDH1A1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL16825671 0.87 KMT2A (0.56) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL16846161 0.87 KMT2A (0.56) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL16846200 0.87 KMT2A (0.56) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL18135537 0.87 ALOX15 (0.54) ALDH1A1KMT2AL3MBTL1MAPK1TSHR
SCHEMBL16826112 0.84 MEN1 (0.47) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL16846231 0.82 DRD2 (0.53) ALDH1A1L3MBTL1MAPK1HTTP2RX7
SCHEMBL16846206 0.82 DRD2 (0.53) ALDH1A1L3MBTL1MAPK1HTTP2RX7

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 6 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
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

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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