SCHEMBL5863624

SCHEMBL5863624

O=C(O)C1(CCCBr)c2ccccc2Oc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
PTPN1 P18031 2/20 0.34
GSK3B P49841 2/20 0.34
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
APEX1 P27695 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX4 Q99571 2/20 0.32
GRM2 Q14416 2/20 0.32
AKR1B1 P15121 1/20 0.31
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
CYP2C9 P11712 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CCR1 P32246 1/20 0.31
SLC6A1 P30531 1/20 0.31
P2RX1 P51575 1/20 0.31

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
SCHEMBL6766394 0.95 P2RX4 (0.34) ALOX5PTPN1GSK3BHTR2AHRH1
Hydrochloric Acid SCHEMBL6766830 0.94 ALOX5 (0.33) ALOX5PTPN1GSK3BHTR2AHRH1
SCHEMBL4747072 0.84 ALOX5 (0.35) ALOX5HTR2AHRH1APEX1THRB
SCHEMBL4743630 0.84 ALOX5 (0.35) ALOX5GSK3BHTR2AHRH1APEX1
SCHEMBL6650308 0.83 HDAC1 (0.42) TDP1P2RX4CHRM2CHRM1CHRM3
SCHEMBL6766827 0.82 P2RX4 (0.35) ALOX5P2RX4
Bromomethane SCHEMBL15709779 0.81 ALOX5 (0.35) ALOX5HTR2AHRH1APEX1THRB
SCHEMBL523372 0.78 ALOX5 (0.39) ALOX5HTR2AHRH1APEX1THRB
Bromomethane SCHEMBL207850 0.78 KMT2A (0.37) ALOX5THRBTDP1P2RX4AKR1B1
Bromomethane SCHEMBL208482 0.78 ALOX5 (0.36) ALOX5HTR2AHRH1THRBTDP1

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
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC ALOX5 378/4885PTPN1 2494/4885GSK3B 4036/4885

“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.