SCHEMBL10085779

SCHEMBL10085779

CNc1ccc2c(c1)C(=O)N(c1ccc(C(C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
PKM P14618 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
PGR P06401 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48
DRD1 P21728 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PTGES O14684 3/20 0.40

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
SCHEMBL10086417 0.90 SMN1; SMN2 (0.47) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL10085505 0.89 TP53 (0.46) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL10085806 0.89 TP53 (0.46) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL10086548 0.88 NPC1 (0.55) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL549162 0.88 TP53 (0.50) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL10085504 0.88 TP53 (0.47) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL10112937 0.86 NPC1 (0.51) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL10085852 0.86 NPC1 (0.51) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL10086216 0.86 SMN1; SMN2 (0.50) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL549670 0.85 NPC1 (0.50) TP53SMN1; SMN2NPC1PKMRAB9A

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 4 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
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 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 (2 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
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B TP53 4615/4885SMN1; SMN2 1/4885NPC1 1202/4885

“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.