SCHEMBL3425575

SCHEMBL3425575

O=C(O)c1nc(-c2ccccc2)oc1CC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.47
TARBP2 Q15633 2/20 0.43
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 4/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
DGAT1 O75907 4/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
DHODH Q02127 1/20 0.40
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL2879336 0.83 IKBKB (0.50) IKBKBTARBP2HSD17B10KDM4EPPARG
SCHEMBL596762 0.80 TARBP2 (0.52) IKBKBTARBP2HSD17B10KDM4EPPARG
SCHEMBL3611262 0.80 IKBKB (0.50) IKBKBTARBP2HSD17B10KDM4EPPARG
SCHEMBL2789114 0.78 TARBP2 (0.50) IKBKBTARBP2HSD17B10KDM4EPPARG
SCHEMBL164119 0.77 DGAT1 (0.58) IKBKBDGAT1
SCHEMBL3652992 0.77 KDM4E (0.50) IKBKBTARBP2HSD17B10KDM4EPPARG
Hydrochloric Acid SCHEMBL6389486 0.76 DGAT1 (0.57) IKBKBDGAT1
SCHEMBL3425573 0.75 DGAT1 (0.46) IKBKBTARBP2HSD17B10KDM4EPPARG
SCHEMBL3618601 0.74 ALDH1A1 (0.48) IKBKBTARBP2HSD17B10KDM4EPPARG
SCHEMBL2487311 0.73 RAB9A (0.49) IKBKBHSD17B10KDM4EKMT2ANPC1

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-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 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-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT2, DGAT1, ACAT2 IKBKB 1313/4885TARBP2 2551/4885HSD17B10 228/4885

“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.