SCHEMBL118449

SCHEMBL118449

O=C(O)c1cn2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 1.00
PTGS2 P35354 2/20 1.00
RAB9A P51151 7/20 0.67
NPC1 O15118 6/20 0.67
MAPT P10636 4/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
TP53 P04637 1/20 0.54
KDM4E B2RXH2 7/20 0.52
PKM P14618 2/20 0.52
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
HDAC4 P56524 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
GFER P55789 1/20 0.46
METTL3 Q86U44 1/20 0.46
RBP4 P02753 1/20 0.45

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
Hydrochloric Acid SCHEMBL8878519 0.98 PTGS1 (0.96) PTGS1PTGS2RAB9ANPC1MAPT
Bromide SCHEMBL570786 0.98 PTGS1 (0.96) PTGS1PTGS2RAB9ANPC1MAPT
Water SCHEMBL21708935 0.98 PTGS1 (0.96) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL2334973 0.98 PTGS1 (0.96) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL1728538 0.84 PTGS1 (0.73) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL7929884 0.84 PTGS1 (0.72) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL174711 0.84 PTGS1 (0.72) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL2524283 0.84 PTGS1 (0.72) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL15924280 0.83 MAPT (0.72) PTGS1PTGS2RAB9ANPC1MAPT
Lithium Ion SCHEMBL2334977 0.82 PTGS1 (0.70) PTGS1PTGS2RAB9ANPC1MAPT

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 368 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
EP-3953353-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP claimed
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US claimed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO claimed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 EP claimed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
JP-2011529057-A 2011-12-01 JP claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
WO-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 WO claimed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US claimed
EP-1651647-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP claimed
US-20060084806-A1 Processes for the preparation of imidazo[1,2-a] pyridine derivatives GLENMARK PHARMACEUTICALS LIMITED (IN) 2006-04-20 US claimed
WO-2005010001-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTGS1 742/4885PTGS2 559/4885RAB9A 4065/4885
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP PTGS1 4045/4885PTGS2 3251/4885RAB9A 1227/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PTGS1 542/4885PTGS2 709/4885RAB9A 314/4885
US-20060084806-A1 Processes for the preparation of imidazo[1,2-a] pyridine derivatives CBR1, HNRNPA2B1, HNRNPR PTGS1 1858/4885PTGS2 1221/4885RAB9A 1713/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C PTGS1 608/4885PTGS2 502/4885RAB9A 4204/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 PTGS1 1154/4885PTGS2 1787/4885RAB9A 1188/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 PTGS1 3537/4885PTGS2 2700/4885RAB9A 1604/4885

“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.