SCHEMBL3276818

SCHEMBL3276818

O=C(c1c(F)cccc1Br)N(CCO)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
LIMK2 P53671 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
LPAR1 Q92633 4/20 0.45
LPAR5 Q9H1C0 4/20 0.45
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 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
SCHEMBL3283833 0.87 TDP1 (0.56) TDP1NPC1RAB9AL3MBTL1LIMK2
SCHEMBL3277408 0.83 NPC1 (0.49) TDP1NPC1RAB9AL3MBTL1LIMK2
SCHEMBL13277962 0.79 TDP1 (0.50) TDP1NPC1RAB9AL3MBTL1LIMK2
SCHEMBL14552586 0.79 NPC1 (0.48) TDP1NPC1RAB9AL3MBTL1LIMK2
SCHEMBL3280774 0.76 TMEM97 (0.56) TDP1NPC1RAB9AL3MBTL1LIMK2
SCHEMBL3276760 0.76 NPC1 (0.48) TDP1NPC1RAB9AL3MBTL1LIMK2
SCHEMBL3282539 0.76 ALDH1A1 (0.55) TDP1NPC1RAB9AL3MBTL1LIMK2
SCHEMBL8615545 0.76 LIMK2 (0.63) NPC1RAB9AL3MBTL1LIMK2HDAC3
SCHEMBL14552613 0.75 L3MBTL1 (0.52) TDP1NPC1RAB9AL3MBTL1LIMK2
SCHEMBL14552649 0.75 ALDH1A1 (0.48) TDP1NPC1RAB9AL3MBTL1LIMK2

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 TDP1 2623/4885NPC1 4372/4885RAB9A 3794/4885

“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.