SCHEMBL23657478

SCHEMBL23657478

Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
RAB9A P51151 6/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 4/20 0.55
TRPV1 Q8NER1 4/20 0.53
DEGS1 O15121 2/20 0.53
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MITF O75030 1/20 0.51
GAA P10253 1/20 0.51
F10 P00742 1/20 0.51
PTGS1 P23219 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL14200588 0.85 ALDH1A1 (0.62) KDM4ERAB9ATP53SMN1; SMN2NPC1
SCHEMBL30216783 0.83 KDM4E (0.82) KDM4ERAB9ATP53TSHRNFKB1
SCHEMBL21709858 0.83 KDM4E (0.82) KDM4ERAB9ATP53TSHRNFKB1
SCHEMBL16623348 0.79 TRPV1 (0.76) KDM4ERAB9ASMN1; SMN2NPC1TRPV1
SCHEMBL14640504 0.79 TRPV1 (0.76) KDM4ERAB9ASMN1; SMN2NPC1TRPV1
SCHEMBL26373265 0.79 KDM4E (0.75) KDM4ERAB9ATP53TSHRNFKB1
SCHEMBL28665240 0.79 RAB9A (0.85) KDM4ERAB9ATP53TSHRNFKB1
SCHEMBL28397450 0.77 KDM4E (0.73) KDM4ERAB9ATP53TSHRNFKB1
SCHEMBL16363401 0.77 ABL1 (0.62) KDM4ESMN1; SMN2TRPV1MAPT
SCHEMBL15291351 0.77 KDM4E (0.64) KDM4ERAB9ATP53TSHRNFKB1

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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA KDM4E 1784/4885RAB9A 4056/4885TP53 1313/4885

“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.