SCHEMBL21686599

SCHEMBL21686599

O=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
USP2 O75604 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPN1 P18031 3/20 0.45
SRD5A2 P31213 1/20 0.44
GPR35 Q9HC97 1/20 0.43
PTPN11 Q06124 1/20 0.43
SCN2A Q99250 2/20 0.43
KIF11 P52732 3/20 0.42
SLC6A2 P23975 1/20 0.42
P2RY14 Q15391 1/20 0.42
CYP2C8 P10632 1/20 0.42
DHODH Q02127 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL31518178 0.83 KIF11 (0.49) KDM4EUSP2HPGDHSD17B10NPC1
Hydrochloric Acid SCHEMBL30729484 0.82 KIF11 (0.47) KDM4EUSP2HPGDHSD17B10NPC1
SCHEMBL26134841 0.79 KIF11 (0.52) SCN2AKIF11
SCHEMBL14931973 0.79 KDM4E (0.66) KDM4EHPGDHSD17B10CYP1A2SMN1; SMN2
SCHEMBL28281813 0.78 KDM4E (0.70) KDM4EUSP2HPGDHSD17B10NPC1
SCHEMBL308253 0.77 KDM4E (0.69) KDM4EUSP2HPGDHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL30729482 0.77 KDM4E (0.64) KDM4EUSP2HPGDHSD17B10NPC1
SCHEMBL6890851 0.77 KDM4E (0.68) KDM4EUSP2HPGDHSD17B10NPC1
SCHEMBL3154080 0.77 KDM4E (1.00) KDM4EUSP2HPGDHSD17B10NPC1
SCHEMBL27666763 0.77 KDM4E (0.62) KDM4EUSP2HPGDHSD17B10PTPN1

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
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-20 US disclosed
US-11319302-B2 PRC1 inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-05-03 US disclosed
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-06 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 (3 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-11319302-B2 PRC1 inhibitors and methods of treatment therewith BMI1, EZH2, CBX3 KDM4E 154/4885USP2 574/4885HPGD 3239/4885
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 KDM4E 154/4885USP2 574/4885HPGD 3239/4885
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 KDM4E 154/4885USP2 574/4885HPGD 3239/4885

“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.