SCHEMBL13610820

SCHEMBL13610820

CC(C)(C)C(=O)Cn1c(S)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.44
APEX1 P27695 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4292873 0.81 KDM4E (0.65) ALDH1A1MEN1HPGDKMT2AKDM4E
SCHEMBL5121884 0.79 KDM4E (0.67) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL9568272 0.76 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
Bromide SCHEMBL8864430 0.75 TSHR (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL9522910 0.74 LMNA (0.45) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL2202012 0.74 HTT (0.62) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL14557079 0.73 CXCR4 (0.52) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL9523358 0.73 CTSD (0.53) ALDH1A1HPGDL3MBTL1KDM4EHTT
SCHEMBL31357207 0.73 KDM4E (0.65) ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A
SCHEMBL11104091 0.73 KDM4E (0.65) ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A

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 ALDH1A1 2368/4885SMN1; SMN2 2847/4885MEN1 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.