SCHEMBL10086409

SCHEMBL10086409

CC(C)c1ccc(N2Cc3cc(Cl)ccc3C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.56
CYP11B1 P15538 5/20 0.56
CBLB Q13191 2/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
PGR P06401 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
DRD1 P21728 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL550198 0.89 CBLB (0.51) CYP11B2CYP11B1CBLBNPC1RAB9A
SCHEMBL10085454 0.87 NPC1 (0.70) CYP11B2CYP11B1CBLBNPC1RAB9A
SCHEMBL10086211 0.86 NPC1 (0.53) CYP11B2CYP11B1CBLBNPC1RAB9A
SCHEMBL1468608 0.86 NPC1 (0.50) CYP11B2CYP11B1CBLBNPC1RAB9A
SCHEMBL10085846 0.86 NPC1 (0.56) CYP11B2CYP11B1CBLBNPC1RAB9A
SCHEMBL10086523 0.84 NPC1 (0.49) CYP11B2CYP11B1CBLBNPC1RAB9A
SCHEMBL1467522 0.82 NPC1 (0.47) CYP11B2CYP11B1CBLBNPC1RAB9A
SCHEMBL10085802 0.82 NPC1 (0.59) CYP11B2CYP11B1NPC1RAB9ATP53
SCHEMBL4253069 0.82 CYP11B2 (0.55) CYP11B2CYP11B1CBLBNPC1RAB9A
SCHEMBL10085468 0.81 NPC1 (0.50) CYP11B2CYP11B1CBLBNPC1RAB9A

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 CYP11B2 3793/4885CYP11B1 3786/4885CBLB 3329/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B CYP11B2 3198/4885CYP11B1 3251/4885CBLB 3238/4885

“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.