SCHEMBL4430908

SCHEMBL4430908

O=C(O)c1cccn(-c2ccc3ccccc3c2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HCAR2 Q8TDS4 1/20 0.45
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSP90AA1 P07900 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
KDM4E B2RXH2 3/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
IDO1 P14902 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HPGD P15428 2/20 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
SCHEMBL4993459 0.83 SLC6A2 (0.51) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL1137068 0.82 KDM4E (0.54) ALDH1A1POLBL3MBTL1APEX1TDP1
SCHEMBL4433936 0.80 CDC25B (0.50) ALDH1A1POLBL3MBTL1APEX1TDP1
SCHEMBL10517562 0.78 ESR1 (0.46) ALDH1A1POLBL3MBTL1APEX1TDP1
SCHEMBL27772156 0.77 ALDH1A1 (0.47) ALDH1A1POLBL3MBTL1APEX1TDP1
SCHEMBL26601309 0.76 NR4A1 (0.49) ALDH1A1POLBL3MBTL1APEX1TDP1
SCHEMBL26601369 0.76 AKR1C3 (0.49) ALDH1A1POLBL3MBTL1APEX1TDP1
SCHEMBL362582 0.76 LMNA (0.57) ALDH1A1POLBL3MBTL1APEX1TDP1
SCHEMBL5759739 0.76 NOTUM (0.52) ALDH1A1POLBL3MBTL1HSP90AA1KDM4E
SCHEMBL26601277 0.74 KDM4E (0.47) ALDH1A1POLBL3MBTL1APEX1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 ALDH1A1 1639/4885HCAR2 185/4885POLB 4248/4885

“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.