SCHEMBL10085751

SCHEMBL10085751

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ NPC1 O15118 5/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ PKM P14618 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54
▸ RELA Q04206 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ DRD1 P21728 1/20 0.54

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
SCHEMBL14275911 0.91 HTR1A (0.59) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
SCHEMBL30077160 0.88 NPC1 (0.51) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
SCHEMBL10086372 0.83 NPC1 (0.63) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
SCHEMBL11316620 0.80 NPC1 (0.58) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
SCHEMBL10085905 0.78 NPC1 (0.69) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
Propionic Acid SCHEMBL1764372 0.77 NPC1 (0.76) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
Acetic Acid SCHEMBL3681231 0.75 NPC1 (0.83) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
SCHEMBL10086530 0.73 NPC1 (0.61) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
SCHEMBL10085912 0.73 NPC1 (0.66) HTR1AADRA1ANPC1RAB9ASMN1; SMN2
SCHEMBL29874794 0.73 NPC1 (1.00) HTR1AADRA1ANPC1RAB9ASMN1; SMN2

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 HTR1A 3193/4885ADRA1A 2256/4885NPC1 1076/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B HTR1A 3517/4885ADRA1A 2356/4885NPC1 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.

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