SCHEMBL18824873

SCHEMBL18824873

CC1(C)CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ESPL1 Q14674 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HIF1A Q16665 1/20 0.36
SCN9A Q15858 1/20 0.35
HSPB1 P04792 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CTSK P43235 1/20 0.34
APP P05067 1/20 0.33
EPHX2 P34913 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL31049358 0.87 TDP1 (0.51) ATMTDP1PTGS1PTGS2FFAR1
SCHEMBL31224774 0.85 PTGS1 (0.49) ATMTDP1PTGS1PTGS2FFAR1
SCHEMBL12355282 0.84 ATM (0.45) ATMTDP1PTGS1PTGS2FFAR1
SCHEMBL16514882 0.82 MAOA (0.45) ATMTDP1ALDH1A1SMN1; SMN2HRH3
SCHEMBL31009474 0.81 TUBB4A (0.43) TDP1ALDH1A1SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL29847893 0.80 ATM (0.44) ATMTDP1PTGS1PTGS2FFAR1
Hydrochloric Acid SCHEMBL16513834 0.80 ATM (0.44) ATMTDP1PTGS1PTGS2FFAR1
SCHEMBL2379197 0.80 TDP1 (0.44) ATMTDP1PTGS1PTGS2ALDH1A1
SCHEMBL12355287 0.80 PTGS1 (0.43) ATMTDP1PTGS1PTGS2FFAR1
SCHEMBL16532745 0.79 ATM (0.43) ATMTDP1PTGS1PTGS2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357035-B2 Microbiocidal anilide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2019-07-23 US disclosed
US-20180317482-A1 MICROBIOCIDAL ANILIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-11-08 US disclosed
EP-3371153-A1 MICROBIOCIDAL ANILIDE DERIVATIVES Syngenta Participations AG (CH) 2018-09-12 EP disclosed
WO-2017076982-A1 MICROBIOCIDAL ANILIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-05-11 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 (2 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-10357035-B2 Microbiocidal anilide derivatives MSR1, ARG1, ARG2 ATM 4662/4885TDP1 1422/4885PTGS1 1867/4885
US-20180317482-A1 MICROBIOCIDAL ANILIDE DERIVATIVES MSR1, ARG1, ARG2 ATM 4662/4885TDP1 1422/4885PTGS1 1867/4885

“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.