SCHEMBL4064729

SCHEMBL4064729

Cc1csc(CN[C@H]2Cc3c[c]ccc3C2C(N)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.35
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SLC5A7 Q9GZV3 1/20 0.32
MAPK1 P28482 1/20 0.32
NAMPT P43490 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL4064732 1.00 SMO (0.35) SMORAB9ANPC1HSP90AA1PDE10A
SCHEMBL7761724 0.74 PSEN1 (0.35)
SCHEMBL4392500 0.74 KDM1A (0.41) SMORAB9ANPC1
SCHEMBL4392496 0.74 KDM1A (0.41) SMORAB9ANPC1
Hydrochloric Acid SCHEMBL7906091 0.73 KDM1A (0.40) SMORAB9ANPC1
Hydrochloric Acid SCHEMBL7907453 0.73 KLK1 (0.35)
SCHEMBL6198272 0.70 ATM (0.33)
SCHEMBL7970292 0.69 HDAC8 (0.32)
SCHEMBL4058383 0.68 KDM4E (0.32)
SCHEMBL4058384 0.68 KDM4E (0.32)

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-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-2010170-A2 USE OF BIARYLCARBOXAMIDES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2009-01-07 EP disclosed
WO-2007120827-A2 USE OF BIARYLCARBOXAMIDES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2007-10-25 WO 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-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, GLI2 SMO 4/4885RAB9A 417/4885NPC1 595/4885

“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.