SCHEMBL5255871

SCHEMBL5255871

CC(C)(O)CC(=O)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
TP53BP1 Q12888 1/20 0.48
ALDH1A1 P00352 4/20 0.48
GLA P06280 1/20 0.48
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 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
SCHEMBL5255868 0.86 PARP1 (0.50) PARP1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL23217892 0.81 PARP1 (0.52) PARP1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2203444 0.80 PARP1 (0.59) PARP1MEN1KMT2ANPC1L3MBTL1
SCHEMBL8214881 0.79 ERCC5 (0.54) PARP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3260498 0.79 PBRM1 (0.49) MEN1KMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23364604 0.78 PARP1 (0.49) PARP1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL30758864 0.77 PARP1 (0.61) PARP1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL95591 0.77 KMT2A (0.54) MEN1KMT2ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3456365 0.77 L3MBTL1 (0.57) PARP1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL316026 0.76 GSK3B (0.59) PARP1MEN1KMT2ANPC1SMN1; SMN2

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 6 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

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 PARP1 2933/4885MEN1 1227/4885KMT2A 4490/4885

“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.