SCHEMBL116372

SCHEMBL116372

CC(=O)c1cc(-c2ccc(-c3ccc(C)cc3C)cc2)nn1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
POLB P06746 2/20 0.56
MAPT P10636 5/20 0.53
MARS1 P56192 3/20 0.48
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
TP53 P04637 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL117516 0.90 SMN1; SMN2 (0.60) SMN1; SMN2TDP1POLBMAPTMARS1
SCHEMBL3434175 0.82 GRN (0.57) SMN1; SMN2TDP1POLBMAPTMARS1
SCHEMBL5809543 0.74 SMYD3 (0.57) SMN1; SMN2TDP1POLBMAPTGRN
SCHEMBL27687138 0.74 SMN1; SMN2 (0.69) SMN1; SMN2TDP1POLBMAPTMARS1
SCHEMBL13586959 0.73 MEN1 (0.71) SMN1; SMN2TDP1POLBMAPTTP53
SCHEMBL27687135 0.72 MARS1 (0.65) SMN1; SMN2TDP1POLBMAPTMARS1
SCHEMBL4689814 0.71 GRN (0.64) SMN1; SMN2TDP1POLBMAPTMARS1
SCHEMBL13219146 0.71 GRN (0.82) MAPTGRNSORT1CYP1A2CYP2D6
SCHEMBL8589911 0.70 SMN1; SMN2 (0.54) SMN1; SMN2TDP1POLBMAPTMARS1
SCHEMBL27706437 0.70 SMN1; SMN2 (0.63) SMN1; SMN2TDP1POLBMAPTTP53

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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 SMN1; SMN2 3128/4885TDP1 1706/4885POLB 2510/4885

“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.