SCHEMBL4131132

SCHEMBL4131132

COC(=O)c1ccc(/N=C/c2ccccc2Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.65
CA2 P00918 5/20 0.65
PTGS2 P35354 2/20 0.53
PTGS1 P23219 1/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 4/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL2544690 0.85 GAA (0.55) CA1CA2RAB9AMAPTALDH1A1
SCHEMBL2544692 0.85 GAA (0.55) CA1CA2RAB9AMAPTALDH1A1
SCHEMBL20219231 0.79 CA2 (1.00) CA1CA2PTGS2PTGS1RAB9A
SCHEMBL10354505 0.79 CA2 (1.00) CA1CA2PTGS2PTGS1RAB9A
SCHEMBL12416951 0.79 CA1 (0.71) CA1CA2PTGS2PTGS1MAPT
SCHEMBL2530957 0.79 CA1 (0.63) CA1CA2PTGS2PTGS1RAB9A
SCHEMBL2530958 0.79 CA1 (0.63) CA1CA2PTGS2PTGS1RAB9A
SCHEMBL15600629 0.77 CA1 (0.73) CA1CA2PTGS2PTGS1RAB9A
SCHEMBL13934092 0.77 CA2 (0.88) CA1CA2PTGS2PTGS1RAB9A
SCHEMBL7774961 0.77 PTPN1 (0.54) CA1CA2RAB9AMAPTCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (2 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 CA1 4870/4885CA2 4794/4885PTGS2 3571/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CA1 4870/4885CA2 4794/4885PTGS2 3571/4885

“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.