SCHEMBL20049208

SCHEMBL20049208

COC(=O)Cc1cccc(C(F)(F)F)c1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.46
TAS2R14 Q9NYV8 1/20 0.43
POLQ O75417 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 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
SCHEMBL15287109 0.85 P2RX7 (0.44) P2RX7TAS2R14KDM4EHDAC1HDAC8
SCHEMBL30474543 0.84 POLQ (0.55) POLQKDM4EHDAC1HDAC8ALDH1A1
SCHEMBL871601 0.84 POLQ (0.55) POLQKDM4EHDAC1HDAC8ALDH1A1
SCHEMBL31645683 0.83 P2RX7 (0.47) P2RX7POLQKDM4EPTGS2
SCHEMBL15524632 0.79 NOTUM (0.43) TAS2R14KDM4EHDAC1HDAC8NOTUM
SCHEMBL20049209 0.78 P2RX7 (0.48) P2RX7POLQKDM4EALDH1A1HTT
SCHEMBL31614159 0.78 CA12 (0.44) KDM4EALDH1A1LMNAGAA
SCHEMBL4179574 0.78 CA12 (0.44) KDM4EALDH1A1LMNAGAA
SCHEMBL20045091 0.78 KDM4E (0.43) KDM4ETDP1PTGS2L3MBTL1SMN1; SMN2
SCHEMBL17398610 0.76 SMN1; SMN2 (0.47) KDM4EALDH1A1HTTPTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria NORTHWESTERN UNIVERSITY (US) 2021-12-28 US disclosed
US-20200281880-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2020-09-10 US disclosed
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria NORTHWESTERN UNIVERSITY (US) 2020-04-28 US disclosed
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 (4 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 P2RX7 3699/4885TAS2R14 3869/4885POLQ 1808/4885
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT P2RX7 3699/4885TAS2R14 3869/4885POLQ 1808/4885
US-20200281880-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT P2RX7 3699/4885TAS2R14 3869/4885POLQ 1808/4885
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT P2RX7 3699/4885TAS2R14 3869/4885POLQ 1808/4885

“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.