SCHEMBL4828752

SCHEMBL4828752

Cc1c(C(N)=O)c2ccc(Br)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 1/20 0.53
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PTK2B Q14289 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1717191 0.90 PTGFR (0.58) PTGFRALDH1A1L3MBTL1RXFP1GAA
SCHEMBL19329012 0.84 PTGFR (0.64) PTGFRALDH1A1L3MBTL1RXFP1GAA
SCHEMBL1719451 0.83 MEN1 (0.60) PTGFRALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL19329031 0.77 PTGFR (0.54) PTGFRALDH1A1L3MBTL1RXFP1GAA
SCHEMBL1716760 0.77 PTGFR (0.52) PTGFRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL19329013 0.76 PTGFR (0.50) PTGFRALDH1A1L3MBTL1RXFP1GAA
SCHEMBL1718111 0.76 GAA (0.57) PTGFRALDH1A1L3MBTL1GAAGFER
SCHEMBL19329044 0.76 PTGFR (0.86) PTGFRCYP3A4KMT2A
SCHEMBL19350683 0.74 PTGFR (0.51) PTGFRALDH1A1L3MBTL1RXFP1GAA
SCHEMBL1717998 0.74 GAA (0.54) PTGFRALDH1A1L3MBTL1GAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 PTGFR 1448/4885ALDH1A1 2304/4885L3MBTL1 4591/4885

“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.