SCHEMBL4157441

SCHEMBL4157441

Fc1ccc(-c2nc3ccc(Br)cc3s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 16/20 0.72
SULT1A1 P50225 1/20 0.68
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
RORC P51449 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL31120302 0.90 APP (0.81) APPSULT1A1KDM4ENPC1GLA
SCHEMBL14075967 0.84 APP (0.72) APPSULT1A1KDM4ENPC1GLA
SCHEMBL2461395 0.84 APP (1.00) APPKDM4ENPC1GLAGAA
SCHEMBL4806067 0.84 APP (0.72) APPSULT1A1KDM4ENPC1GLA
SCHEMBL30903625 0.83 APP (0.71) APPKDM4ENPC1GLAGAA
SCHEMBL15414023 0.83 APP (0.71) APPKDM4ENPC1GLAGAA
SCHEMBL29016569 0.83 APP (0.67) APPSULT1A1KDM4ENPC1GLA
SCHEMBL19341457 0.82 APP (0.61) APPSULT1A1KDM4ENPC1GLA
SCHEMBL13453290 0.81 APP (1.00) APPSULT1A1KDM4ENPC1GLA
SCHEMBL13806256 0.81 APP (1.00) APPSULT1A1KDM4ENPC1GLA

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 APP 3670/4885SULT1A1 332/4885KDM4E 1519/4885

“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.