SCHEMBL16747722

SCHEMBL16747722

Cc1ccc2c(C=O)c(=O)[nH]c(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ ALB P02768 1/20 0.45
▸ ALPG P10696 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ CHEK1 O14757 2/20 0.38
▸ PDE3B Q13370 3/20 0.38
▸ PDE3A Q14432 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL16740927 0.80 CYP1A2 (0.44) ALDH1A1PARP1NPC1POLB
SCHEMBL16747721 0.75 PDE3B (0.57) LMNAALDH1A1CHEK1PDE3BPDE3A
SCHEMBL16740903 0.75 PDE3B (0.65) ALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL14867269 0.74 ALB (0.41) LMNAALBALPGALDH1A1SMN1; SMN2
SCHEMBL16740945 0.74 KDM4E (0.49) LMNAALDH1A1PDE3BPDE3AHSD17B10
SCHEMBL11297224 0.72 ALB (0.51) ALBALPGALDH1A1SMN1; SMN2MEN1
SCHEMBL10941882 0.71 MEN1 (0.55) LMNAALDH1A1CHEK1HSD17B10SMN1; SMN2
SCHEMBL29955688 0.71 MITF (0.51) LMNAALBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29954956 0.71 MEN1 (0.55) LMNAALDH1A1CHEK1HSD17B10SMN1; SMN2
SCHEMBL18135122 0.71 KDM4E (0.48) LMNAALDH1A1PDE3BPDE3APIM1

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 5 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-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

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 3571/4885ALB 4144/4885ALPG 1763/4885

“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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