SCHEMBL20400910

SCHEMBL20400910

NCc1cnc(C2=CCCCC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATR Q13535 1/20 0.37
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
JAK1 P23458 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
PSMB5 P28074 2/20 0.33
MAPK1 P28482 1/20 0.31
PTPN11 Q06124 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
MAP3K8 P41279 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
SCHEMBL17199629 0.77 TDP1 (0.50) TDP1CASP3SENP8SENP7SENP6
SCHEMBL20400887 0.70 TDP1 (0.46) TDP1CASP3SENP8SENP7SENP6
SCHEMBL28430342 0.70 TDP1 (0.46) TDP1CASP3SENP8SENP7SENP6
SCHEMBL31307013 0.69 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6
SCHEMBL21988063 0.69 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6
SCHEMBL13527768 0.68 LOXL2 (0.32)
SCHEMBL24366369 0.66 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6
SCHEMBL3143646 0.66 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6
SCHEMBL18015411 0.66 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6
SCHEMBL30469661 0.66 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6

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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2022-04-12 US 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 TDP1 4436/4885CASP3 1275/4885SENP8 2456/4885

“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.