SCHEMBL314833

SCHEMBL314833

Cc1[c]c(-c2ccccc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
BRD2 P25440 1/20 0.47
PTGS1 P23219 7/20 0.46
PTGS2 P35354 6/20 0.46
TDO2 P48775 1/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
MAPT P10636 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
SCHEMBL6004541 0.80 PTGS2 (0.39) PTGS1PTGS2TDO2KMT2ANPC1
SCHEMBL11593511 0.78 PTGS1 (0.51) PTGS1PTGS2TDO2GAAMEN1
SCHEMBL2092874 0.77 NR1H4 (0.42) BRD4BRD2PTGS1PTGS2L3MBTL1
SCHEMBL16863686 0.75 PTGS1 (0.42) BRD4BRD2PTGS1PTGS2TDO2
SCHEMBL3645802 0.75 S1PR1 (0.40) BRD4BRD2PTGS1PTGS2TDO2
SCHEMBL1086652 0.73 PTGS1 (0.47) PTGS1PTGS2KMT2ANPC1RAB9A
SCHEMBL1086256 0.73 NPC1 (0.45) PTGS1GAAL3MBTL1MEN1KMT2A
SCHEMBL6452695 0.72 ALDH1A1 (0.38) BRD4BRD2PTGS1PTGS2L3MBTL1
SCHEMBL3150963 0.72 MEN1 (0.38) BRD4BRD2PTGS1PTGS2TDO2
SCHEMBL6452700 0.71 NOTUM (0.43) PTGS1PTGS2TDO2L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP claimed
US-10016420-B2 Substituted pyridazines for the treatment of pain INHIBITAXIN LIMITED (GB) 2018-07-10 US claimed
EP-3243815-A1 PYRIDAZINE DERIVATIVES USEFUL IN THERAPY Inhibitaxin Limited (GB) 2017-11-15 EP claimed
CN-105367508-B A kind of preparation method of Parecoxib Sodium synthesis technique impurity 蚌埠丰原医药科技发展有限公司 2017-09-29 CN claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-20160287584-A1 SUBSTITUTED PYRIDAZINES FOR THE TREATMENT OF PAIN INHIBITAXIN LTD (GB) 2016-10-06 US claimed
US-9359310-B2 Methanethione compounds having antiviral activity VIRONOVA INFLUENZA AB (SE) 2016-06-07 US claimed
CN-105367508-A Preparation method of parecoxib sodium synthesis technology impurities BENGBU BBCA MEDICINE SCIENCE & DEV CO LTD 2016-03-02 CN claimed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US claimed
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US claimed
US-4166905-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US claimed
US-4163784-A ACYLUREA DERIVATIVES PFIZER INC. (US) 1979-08-07 US claimed
EP-0000891-A1 Synergistic combinations of penicillins and antibiotic agents containing them BAYER AG (DE) 1979-03-07 EP claimed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US claimed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 US claimed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US claimed
US-4113946-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-12 US claimed
US-4112230-A Δ2,3 -1,4 Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-05 US claimed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US claimed
US-3979508-A PENICILLOYL-POLYLYSINE KREMERS-URBAN COMPANY (US) 1976-09-07 US 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 (2 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-10016420-B2 Substituted pyridazines for the treatment of pain OPRM1, OPRL1, OPRK1 BRD4 144/4885BRD2 1002/4885PTGS1 245/4885
US-20160287584-A1 SUBSTITUTED PYRIDAZINES FOR THE TREATMENT OF PAIN OPRM1, OPRL1, OPRK1 BRD4 144/4885BRD2 1002/4885PTGS1 245/4885

“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.