SCHEMBL29851900

SCHEMBL29851900

NC1=C(O)C(=O)C(c2ccc(F)c(F)c2)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
IDO1 P14902 6/20 0.35
TDO2 P48775 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GRM5 P41594 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL15621391 1.00 KDM4E (0.59) KDM4EPOLBMAPTIDO1TDO2
SCHEMBL19610699 0.87 KDM4E (0.55) KDM4EPOLBMAPTCYP1A2CYP3A4
SCHEMBL19610732 0.87 KDM4E (0.55) KDM4EPOLBMAPTIDO1TDO2
SCHEMBL30658812 0.87 KDM4E (0.55) KDM4EPOLBMAPTCYP1A2CYP3A4
SCHEMBL15619911 0.80 KDM4E (0.67) KDM4EPOLBMAPTIDO1CYP1A2
SCHEMBL29851825 0.80 KDM4E (0.67) KDM4EPOLBMAPTIDO1CYP1A2
SCHEMBL15620465 0.79 KDM4E (0.60) KDM4EPOLBMAPTCYP1A2CYP3A4
SCHEMBL30658740 0.79 KDM4E (0.60) KDM4EPOLBMAPTCYP1A2CYP3A4
SCHEMBL15620327 0.79 POLB (0.70) KDM4EPOLBMAPTCYP1A2CYP3A4
SCHEMBL15621079 0.78 KDM4E (0.59) KDM4EPOLBMAPTIDO1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818660-B Beta-hydroxylase inhibitors for the treatment of cancer 罗得岛医院 2023-09-12 CN disclosed
US-20220251076-A1 Inhibitors of Beta-Hydoxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2022-08-11 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-20220251076-A1 Inhibitors of Beta-Hydoxylase for Treatment of Cancer ASPH, HAGH, FAH KDM4E 696/4885POLB 1669/4885MAPT 3925/4885

“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.