SCHEMBL10086372

SCHEMBL10086372

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.63
▸ RAB9A P51151 5/20 0.63
▸ PKM P14618 3/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ TP53 P04637 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ NFKB1 P19838 2/20 0.61
▸ NFKB2 Q00653 2/20 0.61
▸ RELA Q04206 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ PGR P06401 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ DRD1 P21728 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ HTR1A P08908 1/20 0.57

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
SCHEMBL11316620 0.86 NPC1 (0.58) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL14275911 0.85 HTR1A (0.59) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL10085905 0.84 NPC1 (0.69) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL10085751 0.83 HTR1A (0.57) NPC1RAB9APKMSMN1; SMN2TP53
Acetic Acid SCHEMBL3681231 0.81 NPC1 (0.83) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL30077160 0.80 NPC1 (0.51) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL4188221 0.79 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL29874794 0.79 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL7346779 0.79 NPC1 (0.73) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL22291931 0.79 NPC1 (0.68) NPC1RAB9APKMSMN1; SMN2TP53

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 6 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
US-7332516-B2 Geminally di-substituted NSAID derivatives as Aβ42 lowering agents MERCK + CO., INC. (US) 2008-02-19 — — US disclosed
US-7332516-B2 Geminally di-substituted NSAID derivatives as Aβ42 lowering agents MERCK + CO., INC. (US) 2008-02-19 — — 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 1487/4885PKM 1256/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B NPC1 1202/4885RAB9A 1591/4885PKM 1033/4885

“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.

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