SCHEMBL4429636

SCHEMBL4429636

COC(=O)c1cccn(C(c2ccc(F)cc2)c2ccc(F)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
TSHR P16473 4/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4429455 0.87 TSHR (0.44) SLC6A3KMT2AALDH1A1KDM4ETSHR
SCHEMBL4993080 0.86 ALDH1A1 (0.41) SLC6A4SLC6A3KMT2AMEN1ALDH1A1
SCHEMBL4986578 0.86 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2HTTCFTR
SCHEMBL4430871 0.83 KDM4E (0.40) KMT2AMEN1ALDH1A1KDM4ECYP2C19
SCHEMBL4995080 0.81 KDM4E (0.41) ALDH1A1KDM4ETSHRGAAMAPT
SCHEMBL4989571 0.80 KMT2A (0.41) SLC6A4SLC6A3KMT2AMEN1ALDH1A1
SCHEMBL20524639 0.80 PTGS2 (0.51) SLC6A4SLC6A3KMT2AMEN1ALDH1A1
SCHEMBL4429492 0.79 KDM5A (0.42) KMT2AALDH1A1KDM4ETSHRCYP2C19
SCHEMBL12890135 0.78 ALDH1A1 (0.47) KMT2AALDH1A1KDM4ETSHRTDP1
SCHEMBL1242908 0.78 KCNA5 (0.40) SLC6A4SLC6A3KMT2AALDH1A1KDM4E

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
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
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 SLC6A4 3875/4885SLC6A3 4352/4885KMT2A 2978/4885

“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.