SCHEMBL6345478

SCHEMBL6345478

CNCc1ccc(Br)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
ADRB2 P07550 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
PARP1 P09874 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
GRM2 Q14416 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NCF1 P14598 1/20 0.36
FPR2 P25090 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
EPHX2 P34913 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL7662002 0.80 CYP11B1 (0.40) CYP11B1PARP1DYRK1ACLK4GRM2
SCHEMBL7668907 0.77 LMNA (0.43) KDM4EMAPTFPR2GAA
SCHEMBL3038971 0.77 GAA (0.45) LOXL2ADRB2KDM4EMAPTCYP3A4
SCHEMBL178395 0.76 KDM1A (0.51) KDM4EMAPTCYP3A4CD274NPC1
SCHEMBL30471820 0.76 KDM1A (0.51) KDM4EMAPTCYP3A4CD274NPC1
SCHEMBL2180629 0.76
SCHEMBL31728193 0.76
SCHEMBL7940302 0.75 HCAR3 (0.44) CYP11B1LOXL2ADRB2KDM4EMAPT
SCHEMBL7934995 0.75 GABRP (0.48) LOXL2ADRB2KDM4EMAPTCYP3A4
SCHEMBL2125695 0.75 KDM4E (0.59) KDM4EMAPTGAAL3MBTL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005075466-A1 SUBSTITUTED THIENYL-MERCAPTOKETONES, AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH HISTONE DEACETYLASE ENZYMATIC ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-08-18 WO disclosed
US-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 US disclosed
EP-1391450-A1 N-(HETEROCYCLE-METHYL)ALKYLAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND BACTERICIDE Kureha Chemical Industry Co., Ltd. (JP) 2004-02-25 EP disclosed
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
CN-1083432-C Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-04-24 CN disclosed
EP-0509559-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-04 EP disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
CN-1036649-C Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-12-10 CN disclosed
CN-1027447-C Insecticidal/acaricidal composition containing alpha-unsaturated amine TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-18 CN disclosed
CN-1093083-A The method for preparing α-unsaturated amine or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-05 CN disclosed
CN-1091737-A The method for preparing amine compound or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-09-07 CN disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 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 (1 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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 CYP11B1 834/4885LOXL2 4011/4885ADRB2 1675/4885

“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.