SCHEMBL31435440

SCHEMBL31435440

O=C(O)c1cc2cc(I)cnc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR35 Q9HC97 3/20 0.40
BCL2L1 Q07817 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
MAP3K8 P41279 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
DAO P14920 4/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.33
TBXAS1 P24557 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL25409122 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL16557145 0.79 MEN1 (0.44) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL13977425 0.79 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL32686064 0.79 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL31435462 0.77 CDC7 (0.43) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL25411145 0.77 CDC7 (0.43) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL25407719 0.75 TDP1 (0.42) ALDH1A1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL31435422 0.75 TDP1 (0.42) ALDH1A1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL22777733 0.74 BCL2L1 (0.46) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL29728017 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. 2025-06-05 US disclosed
CN-119301127-A 6-Oxo-decahydro pyrrolo [1,2-a ] [1,5] diazocine and 6-oxo-decahydro-4H-pyrrolo [2,1-d ] [1,5] thiaazacine derivatives as modulators of STAT3 and STAT6 for the treatment of cancer and inflammatory conditions 瑞克鲁迪克斯制药股份有限公司 2025-01-10 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 (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-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS STAT6, STAT3, STAT1 ALDH1A1 531/4885MEN1 1979/4885KMT2A 1601/4885

“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.