SCHEMBL16740921

SCHEMBL16740921

COc1ccc2c(C)[nH]c(=O)c(CNC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 1/20 0.48
▸ MTNR1A P48039 2/20 0.46
▸ MTNR1B P49286 2/20 0.46
▸ PDE3B Q13370 3/20 0.46
▸ PDE3A Q14432 3/20 0.46
▸ PARP15 Q460N3 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ PDE10A Q9Y233 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ EZH2 Q15910 1/20 0.43

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
SCHEMBL16747804 0.86 HSD17B10 (0.42) AKR1C2MTNR1AMTNR1BPDE3BPDE3A
SCHEMBL16740910 0.83 PDE3B (0.66) PDE3BPDE3APDE10A
SCHEMBL16740947 0.80 HTR1D (0.49) AKR1C2PDE3BPDE3APARP15PARP14
SCHEMBL16740900 0.79 KDM4E (0.51) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL16740905 0.72 PDE3B (0.64) AKR1C2PDE3BPDE3APARP15PARP14
SCHEMBL16740945 0.70 KDM4E (0.49) PDE3BPDE3APARP15PARP14PARP10
SCHEMBL16747772 0.69 PDE3B (0.58) PDE3BPDE3APDE10A
SCHEMBL3127214 0.67 MEN1 (0.53) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL16747787 0.67 PARP1 (0.44) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL2261220 0.66 APLNR (0.65) ALDH1A1MEN1KMT2APOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
WO-2015077193-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 — — 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-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE EZH2, DOT1L, EHMT1 AKR1C2 2843/4885MTNR1A 2617/4885MTNR1B 2962/4885

“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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