SCHEMBL23202858

SCHEMBL23202858

O=[N+]([O-])c1ccc(CCNc2ncnc3ccc(Br)cc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 10/20 0.69
▸ LMNA P02545 4/20 0.56
▸ CCNC P24863 3/20 0.56
▸ CDK8 P49336 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ PDE5A O76074 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TNF P01375 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CRHBP P24387 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ NOD2 Q9HC29 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ NOD1 Q9Y239 1/20 0.55
▸ EGFR P00533 5/20 0.55
▸ NR2F2 P24468 1/20 0.52

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
SCHEMBL23202908 0.87 HTT (0.69) HTTLMNACCNCCDK8PDE5A
SCHEMBL18231973 0.85 HTT (0.72) HTTCCNCCDK8MAPTPDE5A
SCHEMBL23202857 0.84 HTT (0.69) HTTLMNACCNCCDK8MAPT
SCHEMBL30827847 0.84 HTT (0.69) HTTLMNACCNCCDK8MAPT
SCHEMBL8545770 0.82 HTT (0.82) HTTLMNACCNCCDK8MAPT
SCHEMBL13283269 0.81 HTT (0.76) HTTLMNACCNCCDK8MAPT
SCHEMBL28530926 0.81 CCNC (0.57) HTTLMNACCNCCDK8MAPT
SCHEMBL23202863 0.80 HTT (0.60) HTTLMNAMAPTPDE5AALDH1A1
SCHEMBL7469795 0.79 EGFR (0.60) HTTLMNAPDE5AMAPK1MEN1
SCHEMBL8542554 0.79 HTT (0.72) HTTLMNACCNCCDK8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404249-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2025-09-02 — — US disclosed
EP-3802495-B1 4-(2-((2-CHLOROQUINOLIN-4-YL)AMINO)ETHYL)BENZENESULFONAMIDE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF CANCER C&C RES LAB (KR) 2025-07-02 — — EP disclosed
CN-112204010-B Heterocyclic derivatives and uses thereof C&C新药研究所 2024-03-19 — — CN disclosed
US-20210155594-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2021-05-27 — — US disclosed
EP-3802495-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2021-04-14 — — EP disclosed
CN-112204010-A Heterocyclic derivatives and use thereof C&C新药研究所 2021-01-08 — — CN 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-20210155594-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, IRF3 HTT 1901/4885LMNA 3057/4885CCNC 265/4885
US-12404249-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, IRF3 HTT 1901/4885LMNA 3057/4885CCNC 265/4885

“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.

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