SCHEMBL6555485

SCHEMBL6555485

O=c1[nH]cc(CI)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 1/20 0.52
▸ GAA P10253 1/20 0.46
▸ ATAD2 Q6PL18 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6556241 0.90 DPYD (0.44) DPYDGAAATAD2
SCHEMBL5800398 0.81 — —
SCHEMBL161148 0.79 ATAD2 (0.54) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL2037916 0.77 DPYD (0.46) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL2584919 0.77 LMNA (0.52) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL5798297 0.77 DPYD (0.46) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL4625879 0.77 ALDH1A1 (0.52) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL4346481 0.76 DPYD (0.45) DPYDGAAATAD2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL22659843 0.76 DPYD (0.45) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL31236144 0.76 DPYD (0.45) DPYDGAAATAD2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898575-B1 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT DR (US) 2004-12-29 — — EP claimed
US-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES CAPROTEC BIOANALYTICS GMBH (DE) 2003-10-16 — — US claimed
US-20030054410-A1 Combinatorial protecting group strategy for multifunctional molecules CAPROTEC BIOANALYTICS GMBH (DE) 2003-03-20 — — US claimed
EP-0898575-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KÖSTER, Hubert (US) 1999-03-03 — — EP claimed
WO-1997041139-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT (US) 1997-11-06 — — WO claimed
US-10449192-B2 Phthalazinone derivatives KUDO PHARMACEUTICALS LIMITED (GB) 2019-10-22 — — US disclosed
US-20180185363-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2018-07-05 — — US disclosed
US-20170226124-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-10 — — US 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 (5 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-20170226124-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 DPYD 2445/4885GAA 4710/4885ATAD2 2021/4885
US-10449192-B2 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 DPYD 2411/4885GAA 4688/4885ATAD2 2015/4885
US-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES ADAR, RNMT, ATIC DPYD 519/4885GAA 3190/4885ATAD2 2080/4885
US-20030054410-A1 Combinatorial protecting group strategy for multifunctional molecules ADAR, RNMT, RRM1 DPYD 362/4885GAA 2513/4885ATAD2 1865/4885
US-20180185363-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 DPYD 2411/4885GAA 4688/4885ATAD2 2015/4885

“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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