SCHEMBL20625930

SCHEMBL20625930

Nc1ccc2ccccc2c1-c1c(NC(=O)C(F)(F)F)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
MAPT P10636 2/20 0.44
JAK2 O60674 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
KLK7 P49862 1/20 0.44
PARP14 Q460N5 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37

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
SCHEMBL4125050 0.81 KDM4E (0.49) HDAC1MAPTPARP14NPC1RAB9A
SCHEMBL30237970 0.79 MEN1 (0.60) HDAC1MAPTNPC1RAB9AMEN1
SCHEMBL20625929 0.77 ABCB11 (0.41) HDAC1HDAC7HDAC8HDAC6MAPT
SCHEMBL2088436 0.76 CETP (0.50) HDAC1HDAC7HDAC8HDAC6MAPT
SCHEMBL18619655 0.76 ABCC9 (0.48) HDAC1MAPTTP53HTTNPC1
SCHEMBL5551553 0.76 HDAC1 (0.70) HDAC1HDAC7HDAC8HDAC6MAPT
SCHEMBL3788181 0.74 HDAC1 (0.47) HDAC1HDAC7HDAC8HDAC6MAPT
SCHEMBL17977237 0.73 MAPT (0.57) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL29418101 0.73 MAPT (0.57) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL455943 0.73 ALDH1A1 (0.56) MAPTMEN1KMT2AWDR5ALDH1A1

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-10174161-B2 Transformation of meso-lactide COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-01-08 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-10174161-B2 Transformation of meso-lactide RALA, LCT, LTA HDAC1 2348/4885HDAC7 3555/4885HDAC8 3641/4885

“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.