SCHEMBL16747721

SCHEMBL16747721

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.57
▸ PDE3A Q14432 4/20 0.57
▸ LMNA P02545 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.41
▸ CHEK1 O14757 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL16740918 0.79 PDE3B (0.53) PDE3BPDE3ALMNAALDH1A1CHEK1
SCHEMBL16747722 0.75 LMNA (0.46) PDE3BPDE3ALMNAALDH1A1CHEK1
SCHEMBL18135122 0.74 KDM4E (0.48) PDE3BPDE3ALMNAALDH1A1MEN1
SCHEMBL16747720 0.74 LMNA (0.45) PDE3BPDE3ALMNAALDH1A1CHEK1
SCHEMBL31475470 0.73 HSD17B10 (0.58) LMNAALDH1A1CHEK1HSD17B10SMN1; SMN2
SCHEMBL16740939 0.73 PDE3B (1.00) PDE3BPDE3AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14867276 0.73 KDM4E (0.43) LMNAALDH1A1SMN1; SMN2PARP1MEN1
SCHEMBL16740905 0.73 PDE3B (0.64) PDE3BPDE3ALMNAALDH1A1HSD17B10
SCHEMBL28563878 0.73 CYP1A2 (0.41) LMNAALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL9724158 0.69 HSD17B10 (0.61) LMNAALDH1A1CHEK1HSD17B10SMN1; SMN2

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 PDE3B 3943/4885PDE3A 3977/4885LMNA 3571/4885

“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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