SCHEMBL322631

SCHEMBL322631

Clc1ccc2c(c1)[N]C=C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
DYRK1A Q13627 1/20 0.31
TSHR P16473 5/20 0.31
CYP3A4 P08684 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALOX15 P16050 1/20 0.31
CYP2A6 P11509 2/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL323548 0.73 CYP1A2 (0.35) TP53CYP3A4ALDH1A1SMN1; SMN2TDP1
SCHEMBL1091150 0.71
SCHEMBL1092108 0.65 MAPT (0.32) ALDH1A1TDP1MAPT
SCHEMBL209538 0.64 TP53 (0.33) TP53F7F3DYRK1ATSHR
SCHEMBL20876152 0.61 CYP3A4 (0.34) TP53CYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL207169 0.60 TP53 (0.35) TP53F7F3DYRK1ATSHR
SCHEMBL18983883 0.59 MEN1 (0.33) DYRK1ATSHRCYP3A4ALDH1A1LMNA
SCHEMBL1092133 0.59 KDM4E (0.32) ALDH1A1CYP2A6KDM4E
SCHEMBL17664095 0.57 TP53 (0.36) TP53F7F3DYRK1ATSHR
SCHEMBL2052786 0.57 S100A4 (0.46) TP53TSHRCYP3A4ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394963-B Isoxazoline compound, preparation method and application 西北农林科技大学 2023-05-23 CN disclosed
US-11629138-B2 Microbiocidal picolinamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-04-18 US disclosed
EP-3692029-B1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-04-12 EP disclosed
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 US disclosed
CN-114394963-A Isoxazoline compound, preparation method and application 西北农林科技大学 2022-04-26 CN disclosed
US-11259524-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-03-01 US disclosed
US-20210037826-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-02-11 US disclosed
US-10798941-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-10-13 US disclosed
US-20200255400-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 US disclosed
EP-3692029-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES Syngenta Participations AG (CH) 2020-08-12 EP disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 WO disclosed
US-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-08-04 US disclosed
US-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-07-28 US disclosed
US-20110166020-A1 Imidazole and Triazole Compounds, Use Thereof and Agents Containing Said Compounds BASF SE (DE) 2011-07-07 US disclosed
EP-2332912-A1 Heteroarylaminosulfonylphenylderivates for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 EP disclosed
EP-2327701-A1 Heteroarylaminosulfonylphenyl derivatives for use as sodium or calcium channel blockers in the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-01 EP disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 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 (12 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-20200255400-A1 Microbiocidal Picolinamide Derivatives PRF1, CASP1, FPR1 TP53 2828/4885F7 4044/4885F3 4515/4885
US-20210037826-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 TP53 2838/4885F7 3612/4885F3 4030/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 TP53 4752/4885F7 4221/4885F3 4439/4885
US-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them ABAT, OAT, TYR TP53 688/4885F7 1649/4885F3 855/4885
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 TP53 4752/4885F7 4221/4885F3 4439/4885
US-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them OAT, ABAT, TYR TP53 708/4885F7 1717/4885F3 909/4885
US-11629138-B2 Microbiocidal picolinamide derivatives PRF1, CASP1, FPR1 TP53 2828/4885F7 4044/4885F3 4515/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 TP53 4752/4885F7 4221/4885F3 4439/4885
US-10798941-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 TP53 2660/4885F7 3715/4885F3 4171/4885
US-11259524-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 TP53 2838/4885F7 3612/4885F3 4030/4885
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES CYP51A1, MPO, NOX5 TP53 4335/4885F7 1037/4885F3 1890/4885
US-20110166020-A1 Imidazole and Triazole Compounds, Use Thereof and Agents Containing Said Compounds COX4I1, NISCH, TPMT TP53 872/4885F7 1477/4885F3 396/4885

“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.