SCHEMBL117387

SCHEMBL117387

O=C(O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.76
KDM4E B2RXH2 3/20 0.76
LMNA P02545 3/20 0.76
NPC1 O15118 3/20 0.76
RAB9A P51151 3/20 0.76
ALDH1A1 P00352 2/20 0.76
HPGD P15428 2/20 0.76
MAPT P10636 1/20 0.76
NFKB1 P19838 1/20 0.76
NFKB2 Q00653 1/20 0.76
RELA Q04206 1/20 0.76
ATM Q13315 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
DHODH Q02127 6/20 0.75
PDE10A Q9Y233 1/20 0.74
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
TP53 P04637 3/20 0.72
CYP1A2 P05177 2/20 0.72
HIF1A Q16665 2/20 0.72

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
SCHEMBL13199980 0.88 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ELMNANPC1RAB9A
SCHEMBL4601802 0.86 KDM4E (1.00) SMN1; SMN2KDM4ELMNANPC1RAB9A
SCHEMBL29536364 0.86 DHODH (1.00) SMN1; SMN2KDM4ELMNADHODHPDE10A
SCHEMBL2467110 0.86 DHODH (1.00) SMN1; SMN2KDM4ELMNADHODHPDE10A
Cinchophen SCHEMBL25519 0.85 KDM4E (1.00) SMN1; SMN2KDM4ELMNANPC1RAB9A
Cinchophen SCHEMBL29376617 0.85 KDM4E (1.00) SMN1; SMN2KDM4ELMNANPC1RAB9A
Cinchophen SCHEMBL7588217 0.85 KDM4E (1.00) SMN1; SMN2KDM4ELMNANPC1RAB9A
Cinchophen SCHEMBL4464779 0.84 KDM4E (0.97) SMN1; SMN2KDM4ELMNANPC1RAB9A
Cinchophen SCHEMBL10757475 0.84 KDM4E (0.97) SMN1; SMN2KDM4ELMNANPC1RAB9A
Cinchophen SCHEMBL4805149 0.84 KDM4E (0.97) SMN1; SMN2KDM4ELMNANPC1RAB9A

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 3128/4885KDM4E 1144/4885LMNA 4460/4885

“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.