SCHEMBL13610813

SCHEMBL13610813

CC(C)(C)C(=O)c1cccnc1NCCS

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 6/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
AHR P35869 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 3/20 0.39

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
SCHEMBL13610815 0.77 CYP3A4 (0.36) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL26054502 0.76 L3MBTL1 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7079172 0.72 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL22731793 0.72 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL11176979 0.72 FDPS (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL13610816 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL13543168 0.72 NAPRT (0.61) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8826118 0.70 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL17490812 0.70 ALDH1A1 (0.75) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL13543163 0.70 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT

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 2 patents. 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
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 KDM4E 2974/4885ALDH1A1 2368/4885HPGD 3019/4885

“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.