SCHEMBL1856955

SCHEMBL1856955

Nc1ccc(C2=NCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LSS P48449 1/20 0.36
ACHE P22303 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
SCHEMBL132013 0.89 KCNH2 (0.49) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL14320600 0.88 NOS3 (0.47) NPC1RAB9AKCNH2HRH3LTA4H
SCHEMBL20410952 0.83 KCNH2 (0.43) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL10520360 0.81 KCNH2 (0.48) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL20410837 0.81 KCNH2 (0.44) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL9475161 0.81 KCNH2 (0.44) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL1817200 0.79 LSS (0.51) KCNH2HRH3LTA4HALDH1A1KDM4E
SCHEMBL5464687 0.79 NPC1 (0.43) NPC1RAB9AKCNH2HRH3LTA4H
SCHEMBL961792 0.79 KCNN4 (0.44) KCNH2HRH3LTA4HALDH1A1HPGD
SCHEMBL9181791 0.79 KCNH2 (0.43) KCNH2HRH3LTA4HSMN1; SMN2LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433116-B1 None US disclosed
JP-4159269-A None JP disclosed
CN-116144176-B Polyimide composition, film, preparation method and application thereof 山东华夏神舟新材料有限公司 2023-08-15 CN disclosed
CN-116144176-A Polyimide composition, film, preparation method and application thereof 山东华夏神舟新材料有限公司 2023-05-23 CN disclosed
US-11529760-B2 Polymeric materials and articles manufactured there from THE PROCTER & GAMBLE COMPANY (US) 2022-12-20 US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
US-6433116-B2 CROSSLINKING; COATINGS, INKS, VARNISHES, SURFACE TREATMENT S. C. JOHNSON COMMERCIAL MARKETS, INC. 2002-08-13 US disclosed
WO-2002004441-A1 MULTIFUNCTIONAL COUPLING AGENTS WITH CYCLIC IMINOESTER AND IMINOETHER GROUPS, METHOD FOR PRODUCING THE SAME AND USE THEREOF INSTITUT FÜR POLYMERFORSCHUNG DRESDEN E.V. (DE) 2002-01-17 WO disclosed
US-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions BASF CORPORATION 2001-08-30 US disclosed
US-6235901-B1 CAN BE POLYMERIZED AND/OR COPOLYMERIZED BY CATONIC POLYMERIZATION; CAN BE CROSSLINKED AND ARE USEFUL IN COATINGS, INKS, OVERPRINT VARNISHES, AND SURFACE TREATMENT APPLICATIONS. S. C. JOHNSON COMMERCIAL MARKETS, INC. 2001-05-22 US disclosed
WO-2000068212-A1 OXAZOLINE OR OXAZINE ACETOACETATE AQUEOUS COATING COMPOSITIONS S. C. JOHNSON COMMERCIAL MARKETS, INC. (US) 2000-11-16 WO disclosed
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
JP-H04159269-A NEW OXAZOLINE COMPOUND ASAHI DENKA KOGYO KK 1992-06-02 JP disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 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 (3 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-11529760-B2 Polymeric materials and articles manufactured there from ALG3, CD68, VCL NPC1 3857/4885RAB9A 2829/4885KCNH2 362/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 NPC1 66/4885RAB9A 3766/4885KCNH2 4772/4885
US-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions ITGB7, DNMT3A, KAT7 NPC1 3046/4885RAB9A 2992/4885KCNH2 584/4885

“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.