SCHEMBL22920033

SCHEMBL22920033

ClCc1ccc(C2CCCCC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
CHRM1 P11229 2/20 0.35
CXCR4 P61073 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 1/20 0.34
STAT3 P40763 1/20 0.34
KMT2A Q03164 2/20 0.33
CYP11B2 P19099 1/20 0.33
ABL1 P00519 1/20 0.33
MEN1 O00255 1/20 0.33
EPHX1 P07099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMO O15229 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
SCHEMBL22719359 0.91 NOTUM (0.40) L3MBTL1CHRM1NOTUMKMT2AMEN1
SCHEMBL20400983 0.82 MERTK (0.42) CYP19A1L3MBTL1CHRM1CXCR4NOTUM
SCHEMBL20401118 0.82 L3MBTL1 (0.38) CYP19A1L3MBTL1CHRM1CXCR4NOTUM
SCHEMBL3538518 0.82 CYP1A2 (0.43) CYP19A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL8008806 0.80 HRH3 (0.42) L3MBTL1KDM4ESMN1; SMN2
SCHEMBL13548276 0.77 CTSK (0.43) L3MBTL1ALDH1A1STAT3KMT2AMEN1
SCHEMBL25260476 0.76 NOTUM (0.35) L3MBTL1CHRM1CXCR4NOTUMKMT2A
SCHEMBL13547851 0.76 ESR1 (0.36) CYP19A1L3MBTL1CHRM1CXCR4NOTUM
SCHEMBL25297763 0.74 CA2 (0.35) L3MBTL1CHRM1NOTUMALDH1A1KMT2A
SCHEMBL13548256 0.72 BRS3 (0.36) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII 2022-09-15 US disclosed
WO-2021016333-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2021-01-28 WO disclosed
WO-2021016333-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2021-01-28 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 (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-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS STAT3, JAK2, STAT6 CYP19A1 4048/4885L3MBTL1 3474/4885CHRM1 4881/4885

“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.