SCHEMBL10085474

SCHEMBL10085474

CC(C(=O)OC(C)(C)C)c1ccc(N2Cc3cc(C#N)ccc3C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
PGR P06401 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD1 P21728 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL10085861 0.92 TP53 (0.47) TP53SMN1; SMN2CYP11B1CYP11B2MEN1
SCHEMBL10115080 0.87 TP53 (0.44) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10113062 0.85 NPC1 (0.51) TP53SMN1; SMN2CYP11B1CYP11B2MEN1
SCHEMBL10086431 0.85 NPC1 (0.65) TP53SMN1; SMN2CYP11B1CYP11B2MEN1
SCHEMBL10085468 0.85 NPC1 (0.50) TP53SMN1; SMN2CYP11B1CYP11B2MEN1
SCHEMBL10085462 0.85 NPC1 (0.50) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10115089 0.84 TP53 (0.45) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10086391 0.84 TP53 (0.49) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10085902 0.82 NPC1 (0.47) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10085466 0.82 NPC1 (0.55) TP53SMN1; SMN2MEN1LMNACYP2D6

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 1/4885CYP11B1 3786/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B TP53 4615/4885SMN1; SMN2 1/4885CYP11B1 3251/4885

“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.