SCHEMBL4429455

SCHEMBL4429455

COC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 2/20 0.42
OPRD1 P41143 1/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
MYC P01106 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL4429636 0.87 SLC6A4 (0.47) TSHRLMNAALDH1A1KDM4ECFTR
SCHEMBL18617681 0.87 MAPK1 (0.51) TSHRLMNAALDH1A1KDM4ECFTR
SCHEMBL19511729 0.87 MAPK1 (0.51) TSHRLMNAALDH1A1KDM4ECFTR
SCHEMBL4989857 0.87 MAPK1 (0.51) TSHRLMNAALDH1A1KDM4ECFTR
SCHEMBL4429492 0.85 KDM5A (0.42) TSHRLMNAALDH1A1KDM4EBRD4
SCHEMBL4995080 0.85 KDM4E (0.41) TSHRLMNAALDH1A1KDM4ECFTR
SCHEMBL4986578 0.84 KDM4E (0.43) ALDH1A1KDM4ECFTR
SCHEMBL4993080 0.84 ALDH1A1 (0.41) TSHRLMNAALDH1A1KDM4EHSD17B10
SCHEMBL18044537 0.83 PDPK1 (0.46) TSHRLMNAALDH1A1KDM4ECFTR
SCHEMBL4996621 0.83 ALDH1A1 (0.41) TSHRLMNAALDH1A1KDM4ECFTR

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 TSHR 294/4885LMNA 809/4885ALDH1A1 1639/4885

“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.