SCHEMBL17793902

SCHEMBL17793902

Cc1nn2c(C)c(C)nnc2c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 8/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IKBKB O14920 1/20 0.40
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
HSD11B1 P28845 1/20 0.38
AHR P35869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL19656692 0.86 MAPT (0.46) MAP3K14MAPTALDH1A1MEN1KMT2A
SCHEMBL19651541 0.86 MAP3K14 (0.41) MAP3K14MAPTALDH1A1MEN1KMT2A
SCHEMBL17192436 0.85 MAPT (0.51) MAP3K14MAPTALDH1A1MEN1KMT2A
SCHEMBL15748777 0.84 MAPT (0.56) MAP3K14MAPT
SCHEMBL15748811 0.83 MAPT (0.55) MAP3K14MAPTALDH1A1MEN1KMT2A
SCHEMBL17192451 0.82 MAP3K14 (0.44) MAP3K14MAPTALDH1A1MEN1KMT2A
SCHEMBL17192447 0.82 MAPT (0.54) MAP3K14MAPT
SCHEMBL15748815 0.81 MAPT (0.53) MAP3K14MAPTKDM4E
SCHEMBL15748810 0.81 MAPT (0.53) MAP3K14MAPTKMT2AKDM4E
SCHEMBL15748852 0.81 MAPT (0.38) MAP3K14MAPTALDH1A1MEN1KMT2A

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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 US disclosed
WO-2016086136-A1 FATTY ACID CYSTEAMINE CONJUGATES OF CFTR MODULATORS AND THEIR USE IN TREATING MEDICAL DISORDERS CATABASIS PHARMACEUTICALS, INC. (US) 2016-06-02 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 MAP3K14 3509/4885MAPT 867/4885ALDH1A1 1220/4885

“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.