SCHEMBL20401426

SCHEMBL20401426

O=c1[nH]ccc2cc(NCc3ccc(C4CCCCC4)cc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.47
STAT3 P40763 1/20 0.44
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAP2K1 Q02750 1/20 0.38
ROCK1 Q13464 6/20 0.38
PRKACA P17612 4/20 0.38
PRKCD Q05655 2/20 0.38
PRKG1 Q13976 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PRKX P51817 1/20 0.38
PRKCE Q02156 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
SCHEMBL20401232 0.82 STAT3 (0.46) ROCK2STAT3HTR2CHTR2BROCK1
SCHEMBL26928482 0.74 ROCK1 (0.48) ROCK2MAP2K1ROCK1PRKACAPRKCD
SCHEMBL15586753 0.73 ROCK1 (0.51) ROCK2MAP2K1ROCK1PRKACAPRKCD
SCHEMBL3313477 0.71 MAP2K1 (0.46) ROCK2MAP2K1ROCK1PRKACAPRKCD
SCHEMBL11513059 0.71 HTR2C (0.40) HTR2CHTR2BGAAMAPTRAB9A
SCHEMBL11511592 0.69 DEGS1 (0.55) HTR2CHTR2BGAAMAPT
SCHEMBL11509341 0.69 MAPT (0.54) HTR2CHTR2BGAAMAPTRAB9A
SCHEMBL25834155 0.69 KIT (0.52) ROCK2ROCK1PRKACAPRKCDPRKG1
SCHEMBL11513083 0.69 AGER (0.54) HTR2CHTR2BGAAMAPTRAB9A
SCHEMBL11936043 0.69 EPHX1 (0.44) HTR2CHTR2BGAAMAPTRAB9A

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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2022-04-12 US disclosed
CN-111356456-A 2-arylsulfonamido-iV-arylacetamide derived Stat3 inhibitor 夏威夷大学 2020-06-30 CN disclosed
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors STAT3, JAK2, STAT5A ROCK2 774/4885STAT3 1/4885HTR2C 1131/4885

“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.