SCHEMBL3277147

SCHEMBL3277147

O=C1c2cc(Br)ccc2OCCN1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.49
ALDH1A1 P00352 2/20 0.47
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
MAPK1 P28482 2/20 0.44
TNIK Q9UKE5 3/20 0.44
CYP19A1 P11511 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
ROCK1 Q13464 4/20 0.43
SCN1A P35498 1/20 0.43
SCN4A P35499 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SCN8A Q9UQD0 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
SCHEMBL3277116 0.90 PRMT5 (0.54) ROCK2PRMT5WDR77MAPK1TNIK
SCHEMBL11985664 0.84 PRMT5 (0.49) ROCK2PRMT5WDR77MAPK1TNIK
SCHEMBL14552616 0.82 MAPK1 (0.47) ROCK2MAPK1TNIKROCK1AR
SCHEMBL14480961 0.82 SCN1A (0.61) ROCK2PRMT5WDR77TNIKROCK1
SCHEMBL14552669 0.82 SCN1A (0.48) ROCK2ALDH1A1PRMT5WDR77TNIK
SCHEMBL14552578 0.81 TNIK (0.48) ROCK2MAPK1TNIKROCK1SCN1A
SCHEMBL1671236 0.81 AR (0.47) ALDH1A1ALDH2ALDH3A1MAPTTSHR
SCHEMBL14552644 0.80 ROCK2 (0.48) ROCK2ALDH1A1MAPK1TNIKMAPT
SCHEMBL14552648 0.79 MAPK1 (0.40) ROCK2ALDH1A1ALDH2ALDH3A1PRMT5
SCHEMBL14481483 0.78 ROCK2 (0.63) ROCK2MAPK1TNIKROCK1SCN1A

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-20180064726-A1 Deuterium-Substituted Oxazepin Compounds TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2018-03-08 US disclosed
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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 (2 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-20180064726-A1 Deuterium-Substituted Oxazepin Compounds HCN1, KCNN1, CACNA1I ROCK2 3058/4885ALDH1A1 1671/4885ALDH2 2781/4885
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B ROCK2 3276/4885ALDH1A1 324/4885ALDH2 284/4885

“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.