SCHEMBL10085476

SCHEMBL10085476

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 3/20 0.45
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
PGR P06401 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD1 P21728 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 5/20 0.44

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
SCHEMBL10086386 0.85 RAB9A (0.49) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL6784455 0.80 HIF1A (0.54) RAB9AKMT2AMEN1GAASMN1; SMN2
SCHEMBL254670 0.79 HIF1A (0.53) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL10086180 0.79 NPC1 (0.75) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL11313869 0.79 NPC1 (0.57) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL21439780 0.75 L3MBTL1 (0.48) KMT2AMEN1GAASMN1; SMN2TP53
SCHEMBL183940 0.75 KMT2A (0.67) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL5537242 0.75 KMT2A (0.67) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL5544986 0.75 KMT2A (0.67) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL11321180 0.73 PLA2G1B (0.56) RAB9ANPC1KMT2AMEN1GAA

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 RAB9A 1487/4885NPC1 1076/4885KMT2A 828/4885

“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.