SCHEMBL20209637

SCHEMBL20209637

O=C(NCc1ccc(=O)[nH]n1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLS O94925 1/20 0.35
AR P10275 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
CDK5 Q00535 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL26463061 0.88 KMT2A (0.43) KMT2APKMTDP1POLBMEN1
SCHEMBL26463064 0.76 MMP1 (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15269519 0.72 HPGD (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2GLS
SCHEMBL13164077 0.70 HPGD (0.58) KMT2APKMTDP1MEN1ALDH1A1
SCHEMBL12874091 0.69 FPR2 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2GLS
SCHEMBL26459530 0.69 WDR5 (0.42) TDP1SMN1; SMN2MAPK1CDK5TAOK1
SCHEMBL29099149 0.68
SCHEMBL6603660 0.68 SMN1; SMN2 (0.37) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL827675 0.68 SMN1; SMN2 (0.67) KMT2ATDP1POLBMEN1ALDH1A1
SCHEMBL12252602 0.68 L3MBTL1 (0.47) ALDH1A1

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
WO-2024229221-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE CAPULUS THERAPEUTICS, LLC (US) 2024-11-07 WO disclosed
US-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL PRAXIS PRECISION MEDICINES, INC. 2023-05-04 US disclosed
WO-2018098491-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO 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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL SCN1A, SCN3A, SCN2A KMT2A 1572/4885PKM 3920/4885TDP1 2455/4885

“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.