SCHEMBL4298481

SCHEMBL4298481

O=C(O)c1nc2ccccc2n1CCSC(c1ccccc1)(c1ccccc1)c1ccccc1.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC6A1 P30531 1/20 0.40
SLC6A11 P48066 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
KIF11 P52732 3/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APEX1 P27695 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
SCHEMBL4299243 0.99 KDM4E (0.49) KDM4EALDH1A1POLBSMN1; SMN2RECQL
Lithium Ion SCHEMBL4298479 0.88 ALDH1A1 (0.46) KDM4EALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL13623599 0.86 ALDH1A1 (0.47) KDM4EALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL4292449 0.84 KDM4E (0.48) KDM4EALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL18324322 0.73 ALDH1A1 (0.66) KDM4EALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL11145191 0.72 KDM4E (0.65) KDM4EALDH1A1PTGDR2KMT2AHSD17B10
SCHEMBL3619365 0.72 MAPK1 (0.61) KDM4EALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL30497266 0.72 HPGD (0.62) KDM4EALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL28283760 0.72 ALDH1A1 (0.64) KDM4EALDH1A1POLBSMN1; SMN2RECQL
SCHEMBL4294126 0.72 SLC6A1 (0.42) SLC6A1SLC6A11KIF11

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 8 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
EP-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
EP-1883419-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-02-06 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121904-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121860-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 WO 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 2368/4885POLB 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.