SCHEMBL4158650

SCHEMBL4158650

O=C(Nc1ccc(Br)cc1Br)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GPR35 Q9HC97 1/20 0.55
MAPT P10636 4/20 0.54
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.52
KCNMA1 Q12791 2/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNK2 O95069 1/20 0.48
KCNK10 P57789 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3848169 0.87 MAPT (0.67) HDAC1MEN1KMT2AGPR35MAPT
SCHEMBL9114492 0.85 MEN1 (0.62) HDAC1MEN1KMT2AGPR35MAPT
SCHEMBL150171 0.84 GPR35 (0.59) HDAC1MEN1KMT2AGPR35MAPT
SCHEMBL7861893 0.83 MAPT (0.69) HDAC1MEN1KMT2AGPR35MAPT
SCHEMBL6360570 0.83 KCNK2 (0.68) HDAC1MEN1KMT2AGPR35MAPT
SCHEMBL4158668 0.81 LMNA (0.45) MEN1KMT2AGPR35MAPTNPC1
SCHEMBL19406089 0.76 MEN1 (0.56) HDAC1MEN1KMT2AKCNMA1NPC1
SCHEMBL30739586 0.76 HDAC1 (0.75) HDAC1MEN1KMT2APOLBNPC1
SCHEMBL7019006 0.76 PTPN1 (0.73) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL17807234 0.76 PTPN1 (0.73) MEN1KMT2AMAPTPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists CURTIS NEIL ROY 2009-01-08 US disclosed
EP-1866300-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-12-19 EP disclosed
WO-2006100519-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-28 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-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists HTR2A, HTR2C, HTR2B HDAC1 710/4885MEN1 2418/4885KMT2A 607/4885

“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.