SCHEMBL2197190

SCHEMBL2197190

OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)noc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP19A1 P11511 1/20 0.42
CYP17A1 P05093 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38
SUCNR1 Q9BXA5 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2199854 0.96 CYP19A1 (0.44) SMN1; SMN2CYP19A1CYP17A1KMT2AATM
SCHEMBL2198631 0.91 ATM (0.45) SMN1; SMN2CYP19A1CYP17A1KMT2AATM
SCHEMBL2197035 0.91 ATM (0.45) SMN1; SMN2CYP19A1CYP17A1KMT2AATM
SCHEMBL2195573 0.91 BRD4 (0.42) SMN1; SMN2CYP19A1CYP17A1KMT2AATM
SCHEMBL2199166 0.90 KCNA5 (0.50) SMN1; SMN2CYP19A1CYP17A1LMNAL3MBTL1
SCHEMBL2197845 0.90 KCNA5 (0.47) SMN1; SMN2CYP19A1CYP17A1LMNAL3MBTL1
SCHEMBL2197727 0.89 KCNA5 (0.48) SMN1; SMN2CYP17A1KMT2AATMALDH1A1
SCHEMBL2198939 0.88 SMN1; SMN2 (0.47) SMN1; SMN2CYP17A1KMT2AATMALDH1A1
SCHEMBL3115056 0.88 CYP3A4 (0.43) SMN1; SMN2CYP19A1CYP17A1KMT2ANPC1
SCHEMBL12211600 0.88 SMN1; SMN2 (0.39) SMN1; SMN2CYP19A1CYP17A1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013011010-A1 FUNGIZIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-24 WO disclosed
WO-2013011010-A1 FUNGIZIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-24 WO disclosed
WO-2013007550-A1 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-17 WO disclosed
WO-2013007550-A1 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-17 WO disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
EP-2369933-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-10-05 EP disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 US disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 US disclosed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 US disclosed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 US disclosed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 US disclosed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 US disclosed
EP-1794167-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES Syngenta Limited (GB) 2007-06-13 EP disclosed
US-20060073971-A1 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2006-04-06 US disclosed
WO-2006031631-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2006-03-23 WO 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 (4 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-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES CYP4X1, CYP51A1, CYP3A7 SMN1; SMN2 2136/4885CYP19A1 19/4885CYP17A1 28/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 SMN1; SMN2 2387/4885CYP19A1 21/4885CYP17A1 29/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT SMN1; SMN2 4879/4885CYP19A1 598/4885CYP17A1 482/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 SMN1; SMN2 2646/4885CYP19A1 23/4885CYP17A1 46/4885

“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.