SCHEMBL5139730

SCHEMBL5139730

O=C1C=CCSc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.46
IDO1 P14902 3/20 0.46
MAOB P27338 2/20 0.46
MAOA P21397 2/20 0.46
PIN1 Q13526 2/20 0.46
AKT1 P31749 1/20 0.46
SNCA P37840 1/20 0.46
MAP2K1 Q02750 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
NSD1 Q96L73 1/20 0.46
EHMT1 Q9H9B1 1/20 0.46
S100A4 P26447 3/20 0.38
ACHE P22303 2/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MIF P14174 1/20 0.35
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33

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
SCHEMBL10463884 0.75 HPGD (0.35) IDO1ACHEHPGDKDM4EALDH1A1
SCHEMBL29569587 0.69 MEN1 (0.30) ALDH1A1MEN1KMT2ATRPA1
SCHEMBL3643757 0.69 MEN1 (0.30) ALDH1A1MEN1KMT2ATRPA1
SCHEMBL44493 0.69 MEN1 (0.30) ALDH1A1MEN1KMT2ATRPA1
SCHEMBL44015 0.68 S100A4 (0.39) CDC25BMAOBMAOAS100A4ACHE
SCHEMBL4751280 0.67
SCHEMBL29698819 0.67 HPGD (0.48) CDC25BIDO1MAOBMAOAPIN1
SCHEMBL69404 0.67 HPGD (0.48) CDC25BIDO1MAOBMAOAPIN1
SCHEMBL15290583 0.67 HPGD (0.33) HPGDNPSR1MEN1KMT2ATDP1
SCHEMBL2458272 0.67 S100A4 (0.52) CDC25BIDO1MAOBMAOAPIN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045524-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2008-02-21 US disclosed
US-7273880-B2 Selective NPY (Y5) antagonists H. LUNBECK A/S (DK) 2007-09-25 US disclosed
EP-1816127-A1 TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS H. Lundbeck A/S (DK) 2007-08-08 EP disclosed
EP-1183245-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2007-05-09 EP disclosed
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
US-6989379-B1 Selective NPY (Y5) antagonists H. LUNDBICK A/S (DK) 2006-01-24 US disclosed
EP-1194421-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2005-10-12 EP disclosed
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
US-20050137240-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-06-23 US disclosed
EP-1183245-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-10-02 EP disclosed
EP-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
EP-1183245-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
US-6222040-B1 FOR THERAPY OF EATING DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-24 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed
WO-2000064880-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-11-02 WO disclosed
US-6124331-A TREATING ABNORMAL FEEDING DISORDERS (OBESITY AND BULIMIA NERVOSA), SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION, EPILEPTIC SEIZURE, HYPERTENSION, CEREBRAL HEMORRHAGE, CONGESTIVE HEART FAILURE, SLEEP DISTURBANCES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-09-26 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 (3 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-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R CDC25B 4217/4885IDO1 304/4885MAOB 373/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R CDC25B 4217/4885IDO1 304/4885MAOB 373/4885
US-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R CDC25B 3999/4885IDO1 359/4885MAOB 332/4885

“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.