SCHEMBL16740918

SCHEMBL16740918

Cc1[nH]c(=O)c(Br)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.53
▸ PDE3A Q14432 3/20 0.53
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ PARP1 P09874 4/20 0.40
▸ TNKS2 Q9H2K2 3/20 0.40
▸ DAO P14920 1/20 0.39
▸ DDO Q99489 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ AHR P35869 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PARP15 Q460N3 1/20 0.38

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
SCHEMBL2673475 0.83 PARP1 (0.47) PDE3BPDE3AALDH1A1KDM4EGAA
SCHEMBL16747721 0.79 PDE3B (0.57) PDE3BPDE3AALDH1A1KDM4EPARP1
SCHEMBL12360750 0.74 AHR (0.52) ALDH1A1KDM4EGAATNKS2CYP1A2
SCHEMBL16740905 0.73 PDE3B (0.64) PDE3BPDE3AALDH1A1KDM4ETNKS2
SCHEMBL21977684 0.72 DAO (0.62) ALDH1A1KDM4EGAAPARP1TNKS2
SCHEMBL31018132 0.72 DAO (0.62) ALDH1A1KDM4EGAAPARP1TNKS2
SCHEMBL16740927 0.72 CYP1A2 (0.44) ALDH1A1KDM4EGAAPARP1TNKS2
SCHEMBL16740899 0.71 LOXL2 (0.43) PDE3BPDE3AALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL21113172 0.69 LOXL2 (0.42) PDE3BPDE3AALDH1A1KDM4EGAA
SCHEMBL6129257 0.69 PDGFRA (0.49) PDE3BPDE3AALDH1A1KDM4EGAA

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 PDE3B 3943/4885PDE3A 3977/4885ALDH1A1 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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