SCHEMBL22728964

SCHEMBL22728964

COc1ccc([C@@H]2NCCc3ccccc32)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.68
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
PRCP P42785 4/20 0.60
GAA P10253 2/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOA P21397 1/20 0.49

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
SCHEMBL28206529 0.85 KMT2A (0.74) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL24724688 0.85 KMT2A (0.74) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL10644709 0.83 KMT2A (0.56) GID4KMT2AMEN1PRCPGAA
SCHEMBL22728762 0.81 GID4 (1.00) GID4KMT2AMEN1PRCPGAA
SCHEMBL29498352 0.81 GID4 (1.00) GID4KMT2AMEN1PRCPGAA
SCHEMBL3065108 0.81 GID4 (1.00) GID4KMT2AMEN1PRCPGAA
SCHEMBL22728765 0.80 GID4 (0.63) GID4KMT2AMEN1PRCPGAA
SCHEMBL2792861 0.80 GID4 (0.63) GID4KMT2AMEN1PRCPGAA
SCHEMBL2796297 0.80 GID4 (0.63) GID4KMT2AMEN1PRCPGAA
SCHEMBL15033501 0.80 GID4 (0.72) GID4KMT2AMEN1PRCPGAA

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-20220235082-A1 CATALYSTS THE UNIVERSITY OF WARWICK (GB) 2022-07-28 US disclosed
WO-2020240178-A1 CATALYSTS GoldenKeys High-tech Materials Co., Ltd. (CN) 2020-12-03 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-20220235082-A1 CATALYSTS TST, TCP1, CCT3 GID4 3130/4885KMT2A 3433/4885MEN1 1735/4885

“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.