SCHEMBL20103035

SCHEMBL20103035

N#Cc1cc[n+](O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
AR P10275 8/20 0.34
IDO1 P14902 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
S1PR3 Q99500 1/20 0.33
SLC22A12 Q96S37 2/20 0.31
CYP11B2 P19099 1/20 0.31
VCAM1 P19320 1/20 0.31
DYRK1A Q13627 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6745557 0.75 TRPV4 (0.39) TRPV4ARIDO1SLC22A12CYP11B2
SCHEMBL73332 0.62
SCHEMBL29517818 0.62
Water SCHEMBL27523013 0.62 TSHR (0.50) TRPV4ARSLC22A12VCAM1DYRK1A
Sulfuric Acid SCHEMBL11781652 0.62 SLC22A12 (0.47) TRPV4S1PR3SLC22A12ALDH1A1
Methyl Alcohol SCHEMBL28872632 0.62 TSHR (0.50) TRPV4ARSLC22A12DYRK1AALDH1A1
Acetic Acid SCHEMBL11875044 0.61 KDM4E (0.44) S1PR3SLC22A12ALDH1A1
SCHEMBL473963 0.61 TRPV4 (0.57) TRPV4ARIDO1CYP11B2
Boric Acid SCHEMBL29171863 0.61 TSHR (0.43) TRPV4ARS1PR3SLC22A12DYRK1A
Hydrochloric Acid SCHEMBL31061044 0.61 TSHR (0.48) TRPV4ARSLC22A12VCAM1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 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 (1 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-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 TRPV4 4561/4885AR 4206/4885IDO1 1270/4885

“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.