SCHEMBL8720613

SCHEMBL8720613

O=Cc1ccc2sc3ccc(C=O)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
KIF11 P52732 2/20 0.47
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
PTGS2 P35354 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
FDPS P14324 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
PTGER4 P35408 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
AOX1 Q06278 1/20 0.35

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
SCHEMBL31083678 1.00 CYP2A6 (0.50) CYP2A6KIF11ALDH1A1KDM4EPTGS2
SCHEMBL6860177 0.90 GPR3 (0.54) CYP2A6KIF11ALDH1A1KDM4ERAB9A
SCHEMBL10018348 0.86 CYP2A6 (0.47) CYP2A6KIF11ALDH1A1KDM4EPTGS2
SCHEMBL6689810 0.81 KDM4E (0.60) CYP2A6KIF11ALDH1A1KDM4ERAB9A
SCHEMBL13242812 0.80 APP (0.41) CYP2A6KIF11ALDH1A1KDM4ETDP1
SCHEMBL10970273 0.77 GPR3 (0.54) CYP2A6KIF11ALDH1A1KDM4ERAB9A
SCHEMBL21298255 0.74 MEN1 (0.40) CYP2A6ALDH1A1RAB9ATDP1MEN1
SCHEMBL12581557 0.73 MCL1 (0.41) CYP2A6KIF11ALDH1A1KDM4ERAB9A
SCHEMBL9537045 0.73 GPR3 (0.44) CYP2A6KIF11ALDH1A1KDM4ERAB9A
SCHEMBL12683511 0.73 CYP2A6 (0.54) CYP2A6ALDH1A1KDM4E

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-20110124556-A1 Insulin and IGF-1 Receptor Agonists and Antagonists NOVO NORDISK A/S (DK) 2011-05-26 US disclosed
US-20110124556-A1 Insulin and IGF-1 Receptor Agonists and Antagonists NOVO NORDISK A/S (DK) 2011-05-26 US disclosed
US-20090192072-A1 Insulin and IGF-1 Receptor Agonists and Antagonists NOVO NORDISK A/S (DK) 2009-07-30 US disclosed
US-20090192072-A1 Insulin and IGF-1 Receptor Agonists and Antagonists NOVO NORDISK A/S (DK) 2009-07-30 US disclosed
US-20090053807-A1 Insulin and IGF-1 Receptor Agonists and Antagonists NOVO NORDISK A/S (DK) 2009-02-26 US disclosed
US-20090053807-A1 Insulin and IGF-1 Receptor Agonists and Antagonists NOVO NORDISK A/S (DK) 2009-02-26 US disclosed
US-20070265189-A1 INSULIN AND IGF-1 RECEPTOR AGONISTS AND ANTAGONISTS NOVO NORDISK A/S (DK) 2007-11-15 US disclosed
US-20070265189-A1 INSULIN AND IGF-1 RECEPTOR AGONISTS AND ANTAGONISTS NOVO NORDISK A/S (DK) 2007-11-15 US disclosed
US-7173005-B2 Peptide sequences capable of binding to insulin and/or insulin- like growth factor receptors with either agonist or antagonist activity and identified from various peptide libraries are disclosed. This invention also identifies at ANTYRA INC. (US) 2007-02-06 US disclosed
US-7173005-B2 Peptide sequences capable of binding to insulin and/or insulin- like growth factor receptors with either agonist or antagonist activity and identified from various peptide libraries are disclosed. This invention also identifies at ANTYRA INC. (US) 2007-02-06 US disclosed
US-20070004634-A1 Insulin and IGF-1 receptor agonists and antagonists NOVO NORDISK A/S (DK) 2007-01-04 US disclosed
US-20070004634-A1 Insulin and IGF-1 receptor agonists and antagonists NOVO NORDISK A/S (DK) 2007-01-04 US disclosed
US-5807974-A POLYARYLENEVINYLENE RESIN KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1998-09-15 US disclosed
EP-0041675-B1 4-HALOGEN-5-(TRICHLOROMETHYL-PHENYL)-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-11 EP disclosed
US-4371607-A 4-Halogeno-5-(halogenomethyl-phenyl)-oxazole derivatives, a process for the preparation thereof, and radiation-sensitive compositions containing these derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-01 US disclosed
EP-0041675-A2 4-Halogen-5-(trichloromethyl-phenyl)-oxazole derivatives, process for preparing them and radiation-sensitive compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-16 EP disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 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 (4 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-20110124556-A1 Insulin and IGF-1 Receptor Agonists and Antagonists IGF1R, IGFBP1, IGFBP2 CYP2A6 4747/4885KIF11 3173/4885ALDH1A1 4072/4885
US-20090192072-A1 Insulin and IGF-1 Receptor Agonists and Antagonists IGF1R, IGFBP1, IGFBP2 CYP2A6 4747/4885KIF11 3173/4885ALDH1A1 4072/4885
US-20070265189-A1 INSULIN AND IGF-1 RECEPTOR AGONISTS AND ANTAGONISTS IGF1R, IGFBP1, IGFBP2 CYP2A6 4747/4885KIF11 3173/4885ALDH1A1 4072/4885
US-20070004634-A1 Insulin and IGF-1 receptor agonists and antagonists IGF1R, IGFBP1, IGFBP2 CYP2A6 4775/4885KIF11 3187/4885ALDH1A1 4149/4885

“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.