SCHEMBL22828131

SCHEMBL22828131

COC(=O)CN(c1cccc(C)c1)[C@H](C)C(=O)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA13 Q8N1Q1 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
SCHEMBL22828128 0.88 POLB (0.44) KMT2AMEN1PKMALDH1A1CYP2D6
SCHEMBL22828121 0.82 KMT2A (0.46) KMT2AMEN1L3MBTL1ALDH1A1CYP2D6
SCHEMBL22828127 0.79 MLYCD (0.44) KMT2AMEN1ALDH1A1CYP2D6MAPT
SCHEMBL10910179 0.73 RAB9A (0.42) KMT2AMEN1L3MBTL1ALDH1A1NPC1
SCHEMBL8420037 0.71 RAB9A (0.42) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL22400033 0.70 HSD17B1 (0.43) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL13603837 0.69 TSHR (0.42) KMT2AMEN1ALDH1A1CYP2C19NPC1
SCHEMBL22828143 0.69 UTS2R (0.42) ALDH1A1CYP2D6CYP2C19CA12CA1
SCHEMBL12757442 0.68 ERCC1 (0.59) KMT2AALDH1A1CYP2D6CYP2C19RECQL
SCHEMBL13289136 0.68 CYP3A4 (0.64) ALDH1A1CYP2D6RAB9AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377420-B2 Compositions and methods for making donor-acceptor azetines BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-05 — — US disclosed
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-12-24 — — US 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-11377420-B2 Compositions and methods for making donor-acceptor azetines AZI2, AAAS, ZRANB2 KMT2A 2097/4885MEN1 1950/4885PKM 4654/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 KMT2A 2097/4885MEN1 1950/4885PKM 4654/4885

“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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