SCHEMBL16740907

SCHEMBL16740907

COc1ccc2c(C)[nH]c(=O)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.64
▸ KDM4E B2RXH2 5/20 0.58
▸ ALDH1A1 P00352 5/20 0.56
▸ PDE3B Q13370 2/20 0.55
▸ PDE3A Q14432 2/20 0.55
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.46
▸ AXL P30530 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL741856 0.76 AXL (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7440342 0.75 PDE3B (0.73) LMNAKDM4EALDH1A1PDE3BPDE3A
SCHEMBL30634405 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL394584 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL16740896 0.72 ALDH1A1 (1.00) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15835014 0.71 KDM4E (0.45) LMNAKDM4EALDH1A1PDE3BPDE3A
SCHEMBL26018335 0.71 KDM4E (0.49) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL16740892 0.71 ALDH1A1 (0.96) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2798566 0.70 KDM4E (0.75) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16740905 0.70 PDE3B (0.64) LMNAKDM4EALDH1A1PDE3BPDE3A

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 8 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-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
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
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — 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
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 LMNA 3571/4885KDM4E 24/4885ALDH1A1 2301/4885

“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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