SCHEMBL117667

SCHEMBL117667

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 16/20 0.60
SRD5A2 P31213 1/20 0.54
ALPL P05186 1/20 0.51
NPC1 O15118 1/20 0.44
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL25188817 0.88 ALPL (0.56) MARS1SRD5A2ALPLSMN1; SMN2
SCHEMBL1413913 0.87 NPC1 (0.55) ALPLNPC1NR1I2AHRRAB9A
SCHEMBL25183997 0.80 MEN1 (0.49) MARS1ALPLSMN1; SMN2
SCHEMBL3682308 0.78 KMO (0.55)
SCHEMBL70360 0.77 CA12 (0.53) ALPL
SCHEMBL14152313 0.77 HCAR2 (0.56) NPC1RAB9A
SCHEMBL29019950 0.76 MEN1 (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL69492 0.75 MEN1 (0.58) ALPLNPC1RAB9ASMN1; SMN2
SCHEMBL4781819 0.75 MAP4K4 (0.59) MARS1SRD5A2
SCHEMBL13883208 0.74 HCAR2 (0.47) ALPLNPC1NR1I2AHRRAB9A

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 MARS1 55/4885SRD5A2 3080/4885ALPL 4513/4885

“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.