SCHEMBL16846161

SCHEMBL16846161

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ STS P08842 2/20 0.52
▸ HTT P42858 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ POLB P06746 1/20 0.44
▸ VEGFA P15692 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
SCHEMBL16846200 1.00 KMT2A (0.56) KMT2AMEN1STSHTTSMN1; SMN2
SCHEMBL16825671 1.00 KMT2A (0.56) KMT2AMEN1STSHTTSMN1; SMN2
SCHEMBL19479109 0.88 HPGD (0.62) KMT2ASTSHTTSMN1; SMN2MAPT
SCHEMBL16846219 0.87 ALDH1A1 (0.59) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL16825643 0.87 ALDH1A1 (0.59) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL16825755 0.87 ALDH1A1 (0.59) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL18135537 0.87 ALOX15 (0.54) KMT2AHTTMAPTHPGDATM
SCHEMBL16825738 0.84 MEN1 (0.53) KMT2AMEN1STSHTTSMN1; SMN2
SCHEMBL16825885 0.82 SIGMAR1 (0.55) KMT2AMEN1STSHTTSMN1; SMN2
SCHEMBL18129169 0.82 SIGMAR1 (0.55) KMT2AMEN1STSHTTSMN1; SMN2

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 KMT2A 1919/4885MEN1 2231/4885STS 192/4885

“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.

Send feedback