SCHEMBL497531

SCHEMBL497531

O=C1NC(=S)SC1=C(Cc1ccccc1)C1=COCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 4/20 0.39
PIM1 P11309 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 1/20 0.36
EPHX1 P07099 1/20 0.36
GSK3B P49841 1/20 0.36
MMP13 P45452 2/20 0.36
MMP3 P08254 1/20 0.36
PSMD14 O00487 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL1249099 0.88 HPGD (0.40) NAT1PIM1MEN1ALDH1A1POLB
SCHEMBL497021 0.86 HPGD (0.32) MEN1ALDH1A1POLBMAPTMAPK1
SCHEMBL497245 0.82 HPGD (0.46) PIM1ALDH1A1POLBMAPK1KMT2A
SCHEMBL496945 0.81 MAPT (0.34) MEN1ALDH1A1POLBMAPTMAPK1
SCHEMBL4379161 0.80 CDC25B (0.35) ALDH1A1POLBMAPK1KMT2ALMNA
SCHEMBL497129 0.80 KMT2A (0.41) MEN1ALDH1A1POLBMAPTMAPK1
SCHEMBL2788176 0.79 DYRK3 (0.35) MEN1POLBKMT2AHPGDCA2
SCHEMBL6064830 0.79 NPC1 (0.31)
SCHEMBL8181172 0.79 NPC1 (0.33) SMN1; SMN2
SCHEMBL2788331 0.78 MEN1 (0.44) MEN1ALDH1A1POLBKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106214-B2 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors MERCK SERONO SA (CH) 2012-01-31 US disclosed
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP disclosed
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-01-25 US disclosed
EP-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP disclosed
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed
WO-2000018748-A1 RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 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-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B NAT1 811/4885PIM1 429/4885MEN1 3203/4885

“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.