SCHEMBL10085513

SCHEMBL10085513

CC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(C)C(=O)O)cc1)C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
PKM P14618 3/20 0.68
TP53 P04637 2/20 0.68
MEN1 O00255 1/20 0.68
LMNA P02545 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 1/20 0.68
PGR P06401 1/20 0.68
CYP3A4 P08684 1/20 0.68
GAA P10253 1/20 0.68
NFKB1 P19838 1/20 0.68
DRD1 P21728 1/20 0.68
HTT P42858 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HTR1A P08908 1/20 0.49

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
SCHEMBL10085900 0.90 NPC1 (0.64) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10085488 0.86 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10085795 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10085903 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10085788 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10113043 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10085886 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL549243 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10086380 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10114479 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2PKMTP53

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 NPC1 1076/4885RAB9A 1487/4885SMN1; SMN2 1/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B NPC1 1202/4885RAB9A 1591/4885SMN1; SMN2 1/4885

“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.