SCHEMBL787552

SCHEMBL787552

COC(=O)c1ccc(-c2cccc(CBr)c2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.59
CYP4A11 Q02928 2/20 0.59
PDK2 Q15119 1/20 0.47
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
SLC6A3 Q01959 2/20 0.40
BCL2 P10415 1/20 0.40
SLC6A4 P31645 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PTGS2 P35354 1/20 0.40
AOC3 Q16853 2/20 0.40
LTB4R Q15722 1/20 0.39

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
SCHEMBL31312075 0.89 CYP4F2 (0.59) CYP4F2CYP4A11PDK2MEN1MAPT
SCHEMBL787287 0.89 CYP4F2 (0.59) CYP4F2CYP4A11PDK2MEN1MAPT
SCHEMBL1830479 0.84 CYP4F2 (0.55) CYP4F2CYP4A11PDK2MEN1MAPT
SCHEMBL2884923 0.82 PDK2 (0.57) PDK2MEN1MAPTKMT2AALDH1A1
SCHEMBL23380259 0.82 PDK2 (0.50) PDK2MEN1MAPTKMT2AALDH1A1
SCHEMBL6502082 0.81 PDK2 (0.57) PDK2MEN1MAPTKMT2AALDH1A1
SCHEMBL787303 0.80 CYP4F2 (0.64) CYP4F2CYP4A11MAPTBCL2DHFR
SCHEMBL31398834 0.80 CYP4F2 (0.64) CYP4F2CYP4A11MAPTBCL2DHFR
SCHEMBL17164349 0.79 CYP4F2 (0.66) CYP4F2CYP4A11DHFRLOXL2
SCHEMBL30506526 0.79 CYP4F2 (0.66) CYP4F2CYP4A11DHFRLOXL2

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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C CYP4F2 3587/4885CYP4A11 4166/4885PDK2 2698/4885

“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.