SCHEMBL2198089

SCHEMBL2198089

OC(c1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 1/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS2 P35354 1/20 0.39
BRD4 O60885 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 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
SCHEMBL2199322 0.84 CYP19A1 (0.47) NPC1RAB9AMAPTPKMSMN1; SMN2
SCHEMBL2196418 0.81 SMN1; SMN2 (0.45) MAPTALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL2197442 0.76 NPC1 (0.41) NPC1RAB9ARXFP1ALDH1A1PKM
SCHEMBL2198613 0.75 NPC1 (0.41) NPC1RAB9ARXFP1MAPTPKM
SCHEMBL10967991 0.74 SMN1; SMN2 (0.53) MAPTALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL2197781 0.74 KCNA5 (0.45) NPC1RAB9ARXFP1MAPTALDH1A1
SCHEMBL2194938 0.74 SMN1; SMN2 (0.42) NPC1RAB9ARXFP1ALDH1A1PKM
SCHEMBL2198693 0.74 NPC1 (0.40) NPC1RAB9ARXFP1ALDH1A1PKM
SCHEMBL2195309 0.74 KCNA5 (0.45) NPC1RAB9ARXFP1MAPTPKM
SCHEMBL2197636 0.73 NPC1 (0.49) NPC1RAB9ARXFP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 US disclosed
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 US disclosed
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 US disclosed
US-20100179059-A1 Fungicidal Mixtures BASF SE (DE) 2010-07-15 US disclosed
US-20100179059-A1 Fungicidal Mixtures BASF SE (DE) 2010-07-15 US disclosed
US-20100179059-A1 Fungicidal Mixtures BASF SE (DE) 2010-07-15 US disclosed
EP-2170071-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-04-07 EP disclosed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 US disclosed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 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
US-20060073971-A1 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2006-04-06 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 (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 NPC1 1816/4885RAB9A 3422/4885RXFP1 3418/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR NPC1 974/4885RAB9A 2519/4885RXFP1 2993/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 NPC1 1939/4885RAB9A 3330/4885RXFP1 3131/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 NPC1 2880/4885RAB9A 4147/4885RXFP1 2990/4885

“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.