SCHEMBL24045127

SCHEMBL24045127

CNc1cncc(OC(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
TSHR P16473 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRM4 Q14833 2/20 0.33
PIK3CA P42336 1/20 0.32
INPPL1 O15357 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
CSF1R P07333 1/20 0.31
NPC1 O15118 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
SCHEMBL8312695 0.76 ALDH1A1 (0.46) KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL23539905 0.76 SLC22A12 (0.39) MAPTGRIN1GRIN2B
SCHEMBL30015137 0.76 SLC22A12 (0.39) MAPTGRIN1GRIN2B
SCHEMBL31610737 0.75 CYP1A1 (0.45) KDM4EALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL10174187 0.75 CHRNB1 (0.36) PRMT5WDR77CHRNB2CHRNA4GRIN1
SCHEMBL30535737 0.72 GRIN1 (0.39) PRMT5WDR77GRIN1GRIN2B
SCHEMBL8049000 0.72 KDM4E (0.58) KDM4EALDH1A1TSHR
SCHEMBL30015169 0.72 HDAC6 (0.39) PRMT5WDR77
SCHEMBL23541055 0.72 HDAC6 (0.39) PRMT5WDR77
SCHEMBL10141617 0.72 HDAC6 (0.33) PRMT5WDR77CHRNB2CHRNA4GRIN1

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
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
US-20210363147-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-25 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 (2 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-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 KDM4E 2205/4885ALDH1A1 1000/4885MAPT 745/4885
US-20210363147-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 KDM4E 2148/4885ALDH1A1 1203/4885MAPT 844/4885

“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.