SCHEMBL991987

SCHEMBL991987

CCCOc1ccc(N=C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
TSHR P16473 3/20 0.47
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PLK1 P53350 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C19 P33261 1/20 0.42
FAAH O00519 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL414168 0.93 CYP1A2 (0.50) CYP2C9CA12CA1CA2CA7
SCHEMBL10341829 0.88 CYP3A4 (0.54) CYP2C9TSHRCYP3A4L3MBTL1CYP1A2
SCHEMBL9702597 0.88 NR5A1 (0.54) TSHRLTA4HLMNAMAPTNPC1
SCHEMBL3707532 0.88 NR5A1 (0.54) TSHRLTA4HLMNAMAPTNPC1
SCHEMBL9162002 0.88 NR5A1 (0.54) TSHRLTA4HLMNAMAPTNPC1
SCHEMBL1020538 0.88 NR5A1 (0.54) TSHRLTA4HLMNAMAPTNPC1
SCHEMBL7777016 0.88 NR5A1 (0.54) TSHRLTA4HLMNAMAPTNPC1
SCHEMBL11848774 0.88 NR5A1 (0.54) TSHRLTA4HLMNAMAPTNPC1
SCHEMBL7001372 0.88 CYP1A2 (0.46) CYP2C9CA12CA1CA2CA7
SCHEMBL1493053 0.86 CYP3A4 (0.52) CYP2C9TSHRCYP3A4L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868617-B Liquid crystal aligning agent, polymer for obtaining the same, liquid crystal alignment film, and liquid crystal display element using the same 日产化学株式会社 2023-09-12 CN disclosed
CN-111868617-A Liquid crystal aligning agent, polymer for obtaining the same, liquid crystal alignment film, and liquid crystal display element using the same 日产化学株式会社 2020-10-30 CN disclosed
WO-2019182070-A1 LIQUID CRYSTAL ALIGNING AGENT, POLYMER FOR OBTAINING SAME, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 WO disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
CN-102307903-A Novel semi-synthetic glycopeptides as antibacterial agents LEAD THERAPEUTICS INC 2012-01-04 CN disclosed
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO disclosed
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
EP-0270906-A1 Diisocyanates and diisocyanate mixtures, process for their preparation and their use in the preparation of polyurethane plastics BAYER AG (DE) 1988-06-15 EP disclosed
US-4749729-A MONO- AND DI-IMIDAZOLE CARBOXAMIDES AMERICAN CYANAMID COMPANY (US) 1988-06-07 US disclosed
US-4341898-A DEHYDROGENATION-ISOMERIZATION REACTION IN PRESENCE OF LEWIS ACID AIR PRODUCTS AND CHEMICALS, INC. (US) 1982-07-27 US disclosed
US-4163112-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 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 (5 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-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 CYP2C9 2134/4885CA12 3292/4885CA1 2156/4885
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R CYP2C9 3679/4885CA12 3352/4885CA1 2462/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CA12 4791/4885CA1 4818/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 CYP2C9 2134/4885CA12 3292/4885CA1 2156/4885
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 CYP2C9 1219/4885CA12 338/4885CA1 694/4885

“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.