SCHEMBL3138145

SCHEMBL3138145

CCc1sc(NC(=O)C2CC2)nc1C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
AHR P35869 1/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL12620553 0.80 ALDH1A1 (0.58) ALDH1A1HPGD
SCHEMBL12460960 0.80 NPC1 (0.84) RAB9ANPC1SMN1; SMN2AHRMEN1
SCHEMBL24599379 0.79 PSEN1 (0.47) NPC1ALDH1A1MAPTGAAHPGD
SCHEMBL3580813 0.78 NPC1 (0.60) RAB9ANPC1SMN1; SMN2AHRMEN1
SCHEMBL12464176 0.77 RAB9A (0.52) RAB9ANPC1SMN1; SMN2AHRMEN1
SCHEMBL3590753 0.76 LMNA (0.64) RAB9ANPC1SMN1; SMN2AHRMEN1
SCHEMBL2753548 0.75 RAB9A (0.57) RAB9ANPC1SMN1; SMN2AHRMEN1
SCHEMBL2174374 0.73 LCK (0.52) ALDH1A1
SCHEMBL17632138 0.71 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10719011 0.71 NPC1 (0.60) RAB9ANPC1SMN1; SMN2AHRMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 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-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 RAB9A 2028/4885NPC1 23/4885SMN1; SMN2 4815/4885

“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.