SCHEMBL3277729

SCHEMBL3277729

O=C1c2cccc(Br)c2OCCN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
GRM2 Q14416 1/20 0.46
DHPS P49366 2/20 0.43
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 3/20 0.41
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
TNIK Q9UKE5 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3283649 0.81 MAPK1 (0.41) KCNH2GRM2MAPK1SMN1; SMN2LMNA
SCHEMBL11985664 0.79 PRMT5 (0.49) DHPSMAPK1ROCK2ROCK1TNIK
SCHEMBL3275590 0.79 KCNH2 (0.46) KCNH2GRM2MAPK1ROCK2ROCK1
SCHEMBL3275684 0.79 KCNH2 (0.39) KCNH2GRM2MAPK1SMN1; SMN2LMNA
SCHEMBL1775226 0.78 MAPK1 (0.42) MAPK1SMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL14552648 0.78 MAPK1 (0.40) MAPK1SMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL2108681 0.77 ROCK2 (0.42) DHPSMAPK1ROCK2ROCK1GRM5
SCHEMBL3000762 0.77 DHPS (0.60) KCNH2GRM2DHPSSMN1; SMN2LMNA
SCHEMBL16488375 0.77 DDB1 (0.47) KCNH2MAPK1L3MBTL1GRM5ALDH1A1
SCHEMBL14552616 0.76 MAPK1 (0.47) MAPK1ROCK2ROCK1TNIK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B KCNH2 1467/4885GRM2 247/4885DHPS 566/4885

“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.