SCHEMBL117651

SCHEMBL117651

Cc1cc(Cl)ccc1-c1ccc(-c2cc(-n3cnnn3)nn2-c2ccccn2)cc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 8/20 0.82
CACNA1B Q00975 1/20 0.42
SPR P35270 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
F2 P00734 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL116352 0.72 MARS1 (1.00) MARS1MEN1KMT2A
SCHEMBL2731431 0.67 NOTUM (0.53) MARS1MEN1KMT2AALDH1A1NPSR1
SCHEMBL31078777 0.67 NOTUM (0.53) MARS1MEN1KMT2AALDH1A1NPSR1
SCHEMBL117374 0.66 MARS1 (1.00) MARS1
SCHEMBL117650 0.65 MARS1 (1.00) MARS1
SCHEMBL16615357 0.65 NOTUM (0.53) MEN1KMT2AALDH1A1NPSR1F2
SCHEMBL17479508 0.65 MARS1 (0.48) MARS1ALDH1A1NPSR1GRM5F2
SCHEMBL17156386 0.64 CACNA1B (0.53) MARS1CACNA1BALDH1A1PDCD1CD274
SCHEMBL18134658 0.63 NPC1 (0.63) MARS1CACNA1BMEN1KMT2AALDH1A1
SCHEMBL12497363 0.63 NOTUM (0.48) NOTUM

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 MARS1 55/4885CACNA1B 4829/4885SPR 1077/4885

“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.