SCHEMBL4297348

SCHEMBL4297348

O=C(O)c1cccnc1NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.49
DHODH Q02127 6/20 0.49
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP2C9 P11712 2/20 0.45
GMNN O75496 1/20 0.45
TTR P02766 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
UGT1A1 P22309 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL4296812 0.99 SIRT2 (0.48) SIRT2DHODHMEN1KMT2ALMNA
Lithium Ion SCHEMBL4296808 0.89 SIRT2 (0.46) SIRT2DHODHMEN1KMT2ALMNA
SCHEMBL4756158 0.88 L3MBTL1 (0.46) SIRT2MEN1KMT2ALMNAALDH1A1
SCHEMBL4295739 0.85 HTT (0.56) SIRT2MEN1KMT2ALMNAALDH1A1
SCHEMBL4293392 0.83 SIRT2 (0.47) SIRT2KDM4EKIF11
SCHEMBL4297412 0.82 AGTR1 (0.42) SIRT2KDM4ETDP1CYP2C9CYP1A2
SCHEMBL4288771 0.82 SIRT2 (0.46) SIRT2KDM4EKIF11
SCHEMBL4301697 0.81 AGTR1 (0.41) SIRT2KDM4ETDP1CYP2C9CYP1A2
Lithium Ion SCHEMBL4288767 0.78 SIRT2 (0.44) SIRT2KIF11
SCHEMBL4295736 0.77 SIRT2 (0.43) SIRT2L3MBTL1KIF11

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 SIRT2 260/4885DHODH 4478/4885MEN1 285/4885

“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.