SCHEMBL10085481

SCHEMBL10085481

COc1ccc(-c2ccc3c(c2)C(=O)N(c2ccc(C(C)C(=O)O)cc2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
PKM P14618 2/20 0.61
CYP2C19 P33261 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
CYP2D6 P10635 1/20 0.61
KMT2A Q03164 1/20 0.61
PGR P06401 1/20 0.61
CYP3A4 P08684 1/20 0.61
GAA P10253 1/20 0.61
NFKB1 P19838 1/20 0.61
DRD1 P21728 1/20 0.61
HTT P42858 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MAP3K5 Q99683 2/20 0.51

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
SCHEMBL10085455 0.92 TP53 (0.61) TP53SMN1; SMN2NPC1RAB9APKM
SCHEMBL549232 0.91 SMN1; SMN2 (0.67) TP53SMN1; SMN2NPC1RAB9APKM
SCHEMBL10085872 0.89 NPC1 (0.74) TP53SMN1; SMN2NPC1RAB9APKM
SCHEMBL10085868 0.88 TP53 (0.65) TP53SMN1; SMN2NPC1RAB9APKM
SCHEMBL10086451 0.88 NPC1 (0.57) TP53SMN1; SMN2NPC1RAB9APKM
SCHEMBL10085477 0.87 NPC1 (0.47) TP53SMN1; SMN2NPC1RAB9APKM
SCHEMBL10085473 0.87 TP53 (0.64) TP53SMN1; SMN2NPC1RAB9APKM
SCHEMBL13570271 0.86 NPC1 (0.47) TP53SMN1; SMN2NPC1RAB9APKM
SCHEMBL10085793 0.85 TP53 (0.64) TP53SMN1; SMN2NPC1RAB9APKM
SCHEMBL10086429 0.84 NPC1 (0.67) TP53SMN1; SMN2NPC1RAB9APKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2012-04-05 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 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-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B TP53 4512/4885SMN1; SMN2 1/4885NPC1 1076/4885

“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.