Sugi Predict

Sugi Predict / Compounds / SCHEMBL10085809

SCHEMBL10085809

SCHEMBL10085809

CC(C)c1ccc(N2Cc3ccc(-c4ccccc4)cc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ PKM P14618 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ DRD1 P21728 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ MCHR1 Q99705 1/20 0.55

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
SCHEMBL10085872 0.88 NPC1 (0.74) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL10086451 0.86 NPC1 (0.57) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL2739315 0.82 NPC1 (0.72) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL10086379 0.81 TP53 (0.55) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL1468458 0.81 NPC1 (0.50) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL10086217 0.81 NPC1 (0.56) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL550198 0.81 CBLB (0.51) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL10085473 0.81 TP53 (0.64) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL10085877 0.80 NPC1 (0.49) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL10086450 0.80 NPC1 (0.52) NPC1RAB9APKMTP53SMN1; 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 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.