SCHEMBL117516

SCHEMBL117516

CC(=O)c1cc(-c2ccc(-c3ccc(C)cc3Cl)cc2)nn1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
TDP1 Q9NUW8 1/20 0.60
MARS1 P56192 6/20 0.57
POLB P06746 3/20 0.55
MAPT P10636 6/20 0.52
TP53 P04637 3/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
GALR3 O60755 1/20 0.43
GAA P10253 1/20 0.43
NPY1R P25929 1/20 0.43
STAT3 P40763 1/20 0.43
NPY2R P49146 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
HDAC3 O15379 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
SCHEMBL116372 0.90 SMN1; SMN2 (0.61) SMN1; SMN2TDP1MARS1POLBMAPT
SCHEMBL3434175 0.75 GRN (0.57) SMN1; SMN2TDP1MARS1POLBMAPT
SCHEMBL27687135 0.74 MARS1 (0.65) SMN1; SMN2TDP1MARS1POLBMAPT
SCHEMBL27687138 0.73 SMN1; SMN2 (0.69) SMN1; SMN2TDP1MARS1POLBMAPT
SCHEMBL5809543 0.73 SMYD3 (0.57) SMN1; SMN2TDP1POLBMAPTMEN1
SCHEMBL117500 0.73 MARS1 (1.00) SMN1; SMN2TDP1MARS1POLB
SCHEMBL117660 0.72 MARS1 (1.00) SMN1; SMN2TDP1MARS1POLB
SCHEMBL13586959 0.72 MEN1 (0.71) SMN1; SMN2TDP1POLBMAPTTP53
SCHEMBL118672 0.72 MARS1 (1.00) MARS1CYP1A2CYP2C9
SCHEMBL4689814 0.70 GRN (0.64) SMN1; SMN2TDP1MARS1POLBMAPT

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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
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 1706/4885MARS1 55/4885

“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.