SCHEMBL13623599

SCHEMBL13623599

COC(=O)c1nc2ccccc2n1CCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.43
MAPT P10636 1/20 0.42
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
SLC6A1 P30531 1/20 0.40
SLC6A11 P48066 1/20 0.40
CFTR P13569 1/20 0.40
OPRK1 P41145 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL4292449 0.89 KDM4E (0.48) ALDH1A1KDM4EPOLBRECQLSMN1; SMN2
SCHEMBL4299243 0.87 KDM4E (0.49) ALDH1A1KDM4EPOLBRECQLSMN1; SMN2
SCHEMBL4298481 0.86 KDM4E (0.48) ALDH1A1KDM4EPOLBRECQLSMN1; SMN2
Lithium Ion SCHEMBL4298479 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBRECQLSMN1; SMN2
SCHEMBL4784069 0.75 CYP2C19 (0.60) KDM4EPOLBSMN1; SMN2LMNAMAPT
SCHEMBL2596342 0.72 SMN1; SMN2 (0.53) ALDH1A1KDM4ERECQLSMN1; SMN2LMNA
SCHEMBL13943 0.69 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBRECQLSMN1; SMN2
SCHEMBL30497266 0.69 HPGD (0.62) ALDH1A1KDM4EPOLBRECQLSMN1; SMN2
SCHEMBL18395333 0.69 KDM4E (0.56) ALDH1A1KDM4EPOLBRECQLSMN1; SMN2
SCHEMBL30899119 0.68 KCNH2 (0.46) ALDH1A1KDM4EPOLBRECQLSMN1; SMN2

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 ALDH1A1 2368/4885KDM4E 2974/4885POLB 4806/4885

“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.