SCHEMBL4989571

SCHEMBL4989571

COC(=O)c1cccn(C(c2ccccc2F)c2ccccc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
BRD4 O60885 1/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4436595 0.85 MYC (0.41) KMT2AALDH1A1KDM4ELMNATSHR
SCHEMBL4987904 0.83 CES2 (0.43) KMT2AALDH1A1KDM4ECES2CES1
SCHEMBL4429455 0.81 TSHR (0.44) KMT2AALDH1A1KDM4ESLC6A3LMNA
SCHEMBL4429636 0.80 SLC6A4 (0.47) KMT2AALDH1A1KDM4ESLC6A4SLC6A3
SCHEMBL20524639 0.79 PTGS2 (0.51) KMT2AALDH1A1KDM4ESLC6A4SLC6A3
SCHEMBL12890135 0.77 ALDH1A1 (0.47) KMT2AALDH1A1KDM4ELMNATSHR
SCHEMBL4993080 0.77 ALDH1A1 (0.41) KMT2AALDH1A1KDM4ESLC6A4SLC6A3
SCHEMBL4995080 0.75 KDM4E (0.41) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL4986578 0.74 KDM4E (0.43) ALDH1A1KDM4ECFTR
SCHEMBL19511729 0.74 MAPK1 (0.51) ALDH1A1KDM4ESLC6A3LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 KMT2A 2978/4885ALDH1A1 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.