SCHEMBL1422392

SCHEMBL1422392

ClC(Cl)(Cl)n1cnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP11B1 P15538 4/20 0.47
▸ CYP11B2 P19099 4/20 0.47
▸ TNF P01375 1/20 0.47
▸ HTT P42858 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ STAT6 P42226 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ FGFR1 P11362 2/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7555734 0.81 HTT (0.53) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL11180566 0.80 TDP1 (0.42) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL10294 0.79 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL2614317 0.79 NPC1 (0.49) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL15545884 0.79 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL2794301 0.76 HTT (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL6175276 0.76 FDPS (0.46) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL10547723 0.74 TDP1 (0.41) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL22393709 0.73 TDP1 (0.47) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL11323447 0.72 HTT (0.42) TDP1CYP11B1CYP11B2TNFHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 — — EP claimed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 — — WO claimed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 — — US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 — — US disclosed
EP-3313828-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 — — EP disclosed
WO-2016210234-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 — — WO disclosed
WO-2016206101-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 — — WO disclosed
EP-2297114-A2 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-03-23 — — EP disclosed
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 — — WO disclosed
EP-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 — — EP disclosed
EP-1671972-A1 Octahydropyrrolo[3,4-c]pyrrole derivatives Pfizer Limited (GB) 2006-06-21 — — EP disclosed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 — — WO disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 — — US disclosed
EP-0153682-B1 RADIATION-SENSITIVE COMPOSITION WITH ACID CLEAVABLE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-02 — — EP 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 (3 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-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS TDP1 1015/4885CYP11B1 65/4885CYP11B2 40/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX TDP1 3744/4885CYP11B1 1274/4885CYP11B2 1636/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX TDP1 3702/4885CYP11B1 1223/4885CYP11B2 1582/4885

“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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