SCHEMBL4436595

SCHEMBL4436595

COC(=O)c1cccn(C(c2ccccc2C)c2ccccc2C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.40
BRD4 O60885 2/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
ALOX12 P18054 1/20 0.38
HTT P42858 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL4989571 0.85 KMT2A (0.41) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL4434050 0.85 PTGS2 (0.41) MYCALDH1A1KDM4ELMNATSHR
SCHEMBL4429455 0.82 TSHR (0.44) MYCALDH1A1KDM4ELMNATSHR
SCHEMBL4995080 0.78 KDM4E (0.41) MYCALDH1A1KDM4ELMNATSHR
SCHEMBL12890135 0.78 ALDH1A1 (0.47) MYCALDH1A1KDM4ELMNATSHR
SCHEMBL20524639 0.77 PTGS2 (0.51) MYCALDH1A1KDM4ELMNATSHR
SCHEMBL4429492 0.76 KDM5A (0.42) MYCALDH1A1KDM4ELMNATSHR
SCHEMBL4429636 0.76 SLC6A4 (0.47) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL4989857 0.75 MAPK1 (0.51) MYCALDH1A1KDM4ELMNATSHR
SCHEMBL19511729 0.75 MAPK1 (0.51) MYCALDH1A1KDM4ELMNATSHR

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 MYC 3967/4885ALDH1A1 1639/4885KDM4E 2635/4885

“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.