SCHEMBL5255476

SCHEMBL5255476

CC(C[O])CC(=O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5255481 0.85 GSK3B (0.52) GSK3BKMT2AMEN1HDAC1HDAC8
SCHEMBL4770340 0.82 GSK3B (0.57) GSK3BKMT2AMEN1HDAC1HDAC8
SCHEMBL96579 0.81 TSHR (0.57) GSK3BKMT2AMEN1CES1HPGD
SCHEMBL11373953 0.81 HAO1 (0.50) GSK3BKMT2AMEN1HDAC1HDAC8
SCHEMBL8330625 0.78 HAO1 (0.54) GSK3BKMT2AMEN1HDAC1HDAC8
SCHEMBL11161484 0.78 KMT2A (0.57) GSK3BKMT2AMEN1HDAC1HDAC8
SCHEMBL20485150 0.77 KMT2A (0.49) GSK3BKMT2AMEN1HDAC1HDAC8
SCHEMBL21565611 0.76 GSK3B (0.59) GSK3BKMT2AMEN1HDAC1HDAC8
SCHEMBL11154998 0.75 GSK3B (0.48) GSK3BKMT2AMEN1HDAC1HDAC8
SCHEMBL5066173 0.75 GSK3B (0.63) GSK3BKMT2AMEN1HDAC1HDAC8

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
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B GSK3B 4867/4885KMT2A 4490/4885MEN1 1227/4885

“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.