SCHEMBL10112915

SCHEMBL10112915

CC(C(=O)OCc1ccccc1)c1ccc(N2Cc3ccccc3C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
PKM P14618 3/20 0.71
TP53 P04637 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
LMNA P02545 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C19 P33261 1/20 0.71
PGR P06401 1/20 0.71
CYP3A4 P08684 1/20 0.71
GAA P10253 1/20 0.71
NFKB1 P19838 1/20 0.71
DRD1 P21728 1/20 0.71
HTT P42858 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
HTR1A P08908 1/20 0.60

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
SCHEMBL10086527 0.87 NPC1 (0.72) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL22971568 0.85 NPC1 (0.69) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10086180 0.85 NPC1 (0.75) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL11472813 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2PKMTP53
(R)-Indoprofen SCHEMBL5419435 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMTP53
(R)-Indoprofen SCHEMBL30910963 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMTP53
Indoprofen SCHEMBL25137 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMTP53
Dexindoprofen SCHEMBL286896 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMTP53
(R)-Indoprofen SCHEMBL30910962 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMTP53
Indoprofen SCHEMBL29361927 0.83 NPC1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.