SCHEMBL2009242

SCHEMBL2009242

O=[C]c1cnnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.44
TGFBR1 P36897 1/20 0.37
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
LCK P06239 1/20 0.33
MAP2K3 P46734 1/20 0.33
MAP2K6 P52564 1/20 0.33
BTK Q06187 1/20 0.33
MAP3K19 Q56UN5 1/20 0.33
NEK10 Q6ZWH5 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 4/20 0.32
GRM5 P41594 1/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
GOT1 P17174 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4069351 0.80 GPR3 (0.44) GPR3TGFBR1LMNAHTTALDH1A1
SCHEMBL2013659 0.80 GPR3 (0.44) GPR3TGFBR1HTTALDH1A1KDM4E
SCHEMBL22124911 0.77 GPR3 (0.41) GPR3TGFBR1LMNAHTTALDH1A1
SCHEMBL2008921 0.74 GPR3 (0.33) GPR3HTTPKM
SCHEMBL13765861 0.74 GPR3 (0.39) GPR3TGFBR1LMNAHTTALDH1A1
SCHEMBL276531 0.72 GPR3 (0.50) GPR3TGFBR1LMNAHTTLCK
SCHEMBL1998924 0.72 GPR3 (0.40) GPR3TGFBR1LMNAHTTLCK
SCHEMBL9114839 0.69 GPR3 (0.46) GPR3TGFBR1LMNAHTTALDH1A1
SCHEMBL1160101 0.69 NCF1 (0.50) ALDH1A1CYP1A2SMN1; SMN2CYP2C19KDM4E
SCHEMBL3883304 0.68 GPR3 (0.50) GPR3TGFBR1LMNAHTTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2019-03-07 US disclosed
US-10155730-B2 Isoxazoline derivatives as insecticides SYNGENTA CROP PROTECTION, LLC (US) 2018-12-18 US disclosed
US-20160368883-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2016-12-22 US disclosed
EP-2536698-B1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-06-10 EP disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
US-6100240-A USEFUL AS ANTIBACTERIAL AGENTS AND ANTIPROTOZOA AGENTS PFIZER INC (US) 2000-08-08 US disclosed
EP-0992509-A2 Novel macrolide derivatives Pfizer Products Inc. (US) 2000-04-12 EP disclosed
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 GPR3 649/4885TGFBR1 893/4885LMNA 2860/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE GPR3 4528/4885TGFBR1 3902/4885LMNA 1929/4885
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 GPR3 1178/4885TGFBR1 884/4885LMNA 1648/4885
US-10155730-B2 Isoxazoline derivatives as insecticides ACHE, CHRM1, ITPR3 GPR3 1178/4885TGFBR1 884/4885LMNA 1648/4885
US-20160368883-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 GPR3 1178/4885TGFBR1 884/4885LMNA 1648/4885

“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.