SCHEMBL20045091

SCHEMBL20045091

COC(=O)Cc1cccc(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
PTGS2 P35354 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KMT2A Q03164 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
CFD P00746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC7A5 Q01650 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
SCHEMBL6212971 0.85 NLRP3 (0.48) KDM4EGABRA1GABRB2NLRP3CYP4F2
SCHEMBL31614159 0.83 CA12 (0.44) KDM4EGABRA1GABRB2CYP4F2CYP4A11
SCHEMBL4179574 0.83 CA12 (0.44) KDM4EGABRA1GABRB2CYP4F2CYP4A11
SCHEMBL728665 0.82 KDM4E (0.49) KDM4EPTGS2NLRP3SMN1; SMN2CYP4F2
SCHEMBL30522283 0.82 CTBP2 (0.51) KDM4EKMT2ATSHRL3MBTL1
SCHEMBL265432 0.82 CTBP2 (0.51) KDM4EKMT2ATSHRL3MBTL1
SCHEMBL30296851 0.81 SMN1; SMN2 (0.47) KDM4EPTGS2GABRA1GABRB2SMN1; SMN2
SCHEMBL17398610 0.81 SMN1; SMN2 (0.47) KDM4EPTGS2GABRA1GABRB2SMN1; SMN2
SCHEMBL31614266 0.81 L3MBTL1 (0.49) KDM4ESMN1; SMN2KMT2ATDP1TSHR
SCHEMBL13988592 0.81 ALDH1A1 (0.45) KDM4EPTGS2GABRA1GABRB2NLRP3

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-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2018-04-12 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-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT KDM4E 2714/4885PTGS2 1138/4885GABRA1 81/4885

“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.