SCHEMBL4130703

SCHEMBL4130703

O=C(O)c1ccc2cc(-c3ccccc3)cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.56
PDGFRA P16234 4/20 0.56
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
MGAM O43451 1/20 0.54
MAP4K4 O95819 2/20 0.52
CSNK1G2 P78368 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
MAP4K5 Q9Y4K4 1/20 0.51
ESR2 Q92731 1/20 0.50
LMNA P02545 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 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
SCHEMBL4123055 0.87 MGAM (0.58) PDGFRBPDGFRAKDM4ESMN1; SMN2NPC1
SCHEMBL8502256 0.87 CSNK2A2 (0.54) PDGFRBPDGFRAKDM4ESMN1; SMN2NPC1
SCHEMBL8109340 0.84 MGAM (0.68) PDGFRBPDGFRAMGAMMAP4K4CSNK1G2
SCHEMBL31544701 0.83 MAP4K4 (0.60) PDGFRBPDGFRAMAP4K4ESR2
SCHEMBL9939727 0.81 ESR2 (0.73) PDGFRBPDGFRANPC1RAB9AMGAM
SCHEMBL69368 0.81 MGAM (0.68) PDGFRBPDGFRAKDM4ESMN1; SMN2NPC1
SCHEMBL25984903 0.81 HPGD (0.65) KDM4ESMN1; SMN2NPC1ALDH1A1GAA
Hydrochloric Acid SCHEMBL8891443 0.81 PDGFRB (0.53) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL28191718 0.79 ESR2 (0.59) PDGFRBPDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL2446905 0.79 MET (0.59) KDM4ESMN1; SMN2NPC1ALDH1A1GAA

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 PDGFRB 991/4885PDGFRA 1304/4885KDM4E 2491/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 PDGFRB 991/4885PDGFRA 1304/4885KDM4E 2491/4885

“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.