SCHEMBL16370583

SCHEMBL16370583

COC(=O)c1ccc(CC(N)C(=O)N[C@@H]2CCCc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
OPRK1 P41145 2/20 0.52
MAPT P10636 2/20 0.51
TAOK3 Q9H2K8 4/20 0.50
TAOK1 Q7L7X3 3/20 0.50
SMN1; SMN2 Q16637 2/20 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
SCHEMBL16371380 1.00 KMT2A (0.55) KMT2AALDH1A1MEN1HTTL3MBTL1
SCHEMBL18351572 0.89 KMT2A (0.57) KMT2AALDH1A1MEN1HTTL3MBTL1
SCHEMBL29131632 0.87 OPRK1 (0.59) KMT2AALDH1A1MEN1HTTOPRK1
SCHEMBL29131630 0.87 OPRK1 (0.59) KMT2AALDH1A1MEN1HTTOPRK1
SCHEMBL5651521 0.85 TAOK3 (0.58) KMT2AALDH1A1MEN1HTTOPRK1
SCHEMBL18337978 0.84 XIAP (0.52) KMT2AALDH1A1MEN1HTTL3MBTL1
SCHEMBL18799786 0.84 XIAP (0.52) KMT2AALDH1A1MEN1HTTL3MBTL1
SCHEMBL16392446 0.84 XIAP (0.52) KMT2AALDH1A1MEN1HTTL3MBTL1
SCHEMBL16392356 0.82 KMT2A (0.64) KMT2AALDH1A1MEN1HTTOPRK1
SCHEMBL18351571 0.82 KMT2A (0.64) KMT2AALDH1A1MEN1HTTOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637518-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160376307-A1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-29 US disclosed
EP-3019517-A1 IAP ANTAGONISTS Bristol-Myers Squibb Company (US) 2016-05-18 EP disclosed
WO-2015006524-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 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-20160376307-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 KMT2A 4302/4885ALDH1A1 4013/4885MEN1 3059/4885

“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.