SCHEMBL516589

SCHEMBL516589

CC(NC(=O)c1cc(C#N)cc(Br)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
DHODH Q02127 3/20 0.36
EGLN1 Q9GZT9 4/20 0.36
NAMPT P43490 2/20 0.35
GCK P35557 1/20 0.34
KCNH2 Q12809 1/20 0.34
MALT1 Q9UDY8 2/20 0.34
TYK2 P29597 1/20 0.34
GPR6 P46095 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
RIPK1 Q13546 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL29416585 1.00 IDO1 (0.36) IDO1DHODHEGLN1NAMPTGCK
SCHEMBL195661 0.95 IDO1 (0.36) IDO1DHODHEGLN1NAMPTGCK
SCHEMBL29416604 0.95 IDO1 (0.36) IDO1DHODHEGLN1NAMPTGCK
SCHEMBL29416635 0.93 EGLN1 (0.39) IDO1DHODHEGLN1NAMPTGCK
SCHEMBL195408 0.93 EGLN1 (0.39) IDO1DHODHEGLN1NAMPTGCK
SCHEMBL29416636 0.91 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL29355401 0.91 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL27174182 0.91 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL230723 0.91 IDO1 (0.38) IDO1DHODHNAMPTMALT1CNR1
SCHEMBL4553452 0.89 IDO1 (0.42) IDO1DHODHNAMPTMALT1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011527307-A 2011-10-27 JP claimed
US-20110224075-A1 Pesticidal Active Mixtures Comprising Aminothiazoline Compounds BASF SE (DE) 2011-09-15 US claimed
US-20110118212-A1 Pestcidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2011-05-19 US claimed
EP-2306837-A1 PESTCIDAL ACTIVE MIXTURES COMPRISING ISOXAZOLINE COMPOUNDS I BASF SE (DE) 2011-04-13 EP claimed
CN-114573573-A Antiparasitic isoxazoline compounds, long-acting injectable formulations containing them, methods and uses thereof 勃林格殷格翰动物保健美国公司 2022-06-03 CN disclosed
CN-109068651-B Antiparasitic isoxazoline compounds, long-acting injectable formulations containing them, methods and uses thereof 勃林格殷格翰动物保健美国公司 2022-03-01 CN disclosed
US-10231455-B2 Pesticidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2019-03-19 US disclosed
US-20180007904-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I BASF SE (DE) 2018-01-11 US disclosed
US-8716182-B2 Liquid aqueous crop protection formulations BASF SE (DE) 2014-05-06 US disclosed
US-8563474-B2 Pestcidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2013-10-22 US disclosed
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2013-08-08 US disclosed
US-8221775-B2 Pyrrolin-2-ylamino compounds for combating animal pests BASF SE (DE) 2012-07-17 US disclosed
US-20110224075-A1 Pesticidal Active Mixtures Comprising Aminothiazoline Compounds BASF SE (DE) 2011-09-15 US disclosed
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
US-20110173726-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2011-07-14 US disclosed
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 US disclosed
US-20110159107-A1 Pesticidal Mixtures Comprising Isoxazoline Compounds II BASF SE (DE) 2011-06-30 US disclosed
US-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests BASF SE 2011-06-30 US disclosed
EP-2329711-A1 Novel seed treatment method by using supercritical carbon dioxide BASF SE (DE) 2011-06-08 EP disclosed
US-20110118212-A1 Pestcidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2011-05-19 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 (10 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-20110159107-A1 Pesticidal Mixtures Comprising Isoxazoline Compounds II PRDX1, PRDX2, PRDX5 IDO1 59/4885DHODH 4196/4885EGLN1 386/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 IDO1 1420/4885DHODH 2526/4885EGLN1 3921/4885
US-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests RXFP3, CBR3, ATL3 IDO1 290/4885DHODH 3466/4885EGLN1 376/4885
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations AQP1, GANC, BROX IDO1 1388/4885DHODH 3203/4885EGLN1 1684/4885
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 IDO1 1514/4885DHODH 4254/4885EGLN1 1324/4885
US-20110224075-A1 Pesticidal Active Mixtures Comprising Aminothiazoline Compounds CBR3, AOC3, MT-CO3 IDO1 428/4885DHODH 2236/4885EGLN1 2941/4885
US-20110173726-A1 Pyrazole Compounds for Controlling Invertebrate Pests PRXL2A, GRIN2C, GRIN2A IDO1 1363/4885DHODH 3553/4885EGLN1 1566/4885
US-20110118212-A1 Pestcidal active mixtures comprising isoxazoline compounds I CHRM3, CHRM5, CHRM1 IDO1 705/4885DHODH 4306/4885EGLN1 3203/4885
US-20180007904-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I CHRM3, CHRM5, CACNA1C IDO1 585/4885DHODH 4267/4885EGLN1 3214/4885
US-10231455-B2 Pesticidal active mixtures comprising isoxazoline compounds I CHRM3, CHRM5, CACNA1C IDO1 585/4885DHODH 4267/4885EGLN1 3214/4885

“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.