SCHEMBL13623635

SCHEMBL13623635

CCC(=O)c1ccc(NCCS)nc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.57
HCAR2 Q8TDS4 2/20 0.46
NNMT P40261 1/20 0.41
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13610808 0.81 HCAR3 (0.52) HCAR3HCAR2NNMT
SCHEMBL28093594 0.78 HCAR3 (0.51) HCAR3HCAR2NNMT
SCHEMBL22256570 0.78 HCAR3 (0.50) HCAR3HCAR2NNMTEPHX2NPC1
SCHEMBL28947899 0.76 HCAR3 (0.53) HCAR3HCAR2EPHX2NPC1MAPT
SCHEMBL16463469 0.76 PTK2 (0.56) HCAR3HCAR2EPHX2NPC1MAPT
SCHEMBL186474 0.73 HCAR3 (1.00) HCAR3HCAR2MAPT
SCHEMBL10293002 0.72 HDAC3 (0.54) HCAR3RAB9ASMN1; SMN2
SCHEMBL31661260 0.72 HCAR3 (0.69) HCAR3HCAR2NNMT
SCHEMBL13623668 0.72 MAPT (0.44) HCAR3NNMTNPC1MAPTRAB9A
SCHEMBL22047713 0.71 HCAR3 (1.00) HCAR3HCAR2EPHX2

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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 HCAR3 123/4885HCAR2 58/4885NNMT 2148/4885

“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.