SCHEMBL10086201

SCHEMBL10086201

CCCc1ccc(N2Cc3ccc(C)cc3C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
PKM P14618 3/20 0.54
MGLL Q99685 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
MAPT P10636 1/20 0.38
MCHR1 Q99705 1/20 0.38
PTGES O14684 2/20 0.37
TP53 P04637 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1468655 0.86 NPC1 (0.43) NPC1RAB9APKMMGLLHTR1A
SCHEMBL10086383 0.85 NPC1 (0.43) NPC1RAB9APKMMGLLHTR1A
SCHEMBL10086407 0.83 NPC1 (0.56) NPC1RAB9APKMKDM4ESMN1; SMN2
SCHEMBL1468585 0.83 NPC1 (0.41) NPC1RAB9APKMMGLLHTR1A
SCHEMBL10085912 0.82 NPC1 (0.66) NPC1RAB9APKMMGLLHTR1A
SCHEMBL10085511 0.81 HTR1A (0.46) NPC1RAB9APKMMGLLHTR1A
SCHEMBL18470574 0.80 NPC1 (0.59) NPC1RAB9APKMKDM4ESMN1; SMN2
SCHEMBL1468037 0.79 ALDH1A1 (0.42) NPC1RAB9APKMMGLLHTR1A
SCHEMBL13570288 0.79 NPC1 (0.48) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL13570317 0.79 NPC1 (0.49) NPC1RAB9APKMMGLLHTR1A

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.