SCHEMBL23554633

SCHEMBL23554633

Clc1cc(OI)c(Cl)nn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29549875 0.76 ALDH1A1 (0.45) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL29549876 0.76 ALDH1A1 (0.45) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL30936658 0.73 TDP1 (0.38) TDP1
SCHEMBL22445196 0.73 TDP1 (0.38) TDP1
SCHEMBL29549805 0.71 ALDH1A1 (0.41) TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL23530022 0.71 ALDH1A1 (0.41) TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL29550468 0.71 TDP1 (0.40) TDP1LMNARAB9A
SCHEMBL29166001 0.71 TDP1 (0.40) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL23530212 0.71 TDP1 (0.40) TDP1LMNARAB9A
SCHEMBL25880792 0.69 ENPP1 (0.43) TDP1ALDH1A1PKMRAB9AL3MBTL1

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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 — — US disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 — — 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 TDP1 402/4885ALDH1A1 440/4885PKM 583/4885

“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.

Send feedback