SCHEMBL5554830

SCHEMBL5554830

Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ IKBKB O14920 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CHEK1 O14757 4/20 0.47
▸ PPARA Q07869 4/20 0.47
▸ PPARG P37231 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ CNR1 P21554 4/20 0.44

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
SCHEMBL5551102 0.87 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL1564849 0.86 CNR1 (0.57) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL31554317 0.85 CHEK1 (0.45) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1127833 0.85 CHEK1 (0.51) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL27677399 0.81 MAPT (0.47) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL20590247 0.80 ALDH1A1 (0.38) KDM4EALDH1A1GAAPOLBCHEK1
SCHEMBL20590248 0.80 ALDH1A1 (0.38) KDM4EALDH1A1GAAPOLBCHEK1
SCHEMBL20590234 0.77 USP30 (0.36) KDM4EALDH1A1GAAPOLBCHEK1
SCHEMBL20590235 0.77 USP30 (0.36) KDM4EALDH1A1GAAPOLBCHEK1
SCHEMBL20590285 0.77 ALDH1A1 (0.40) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100584840-C Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB 2010-01-27 — — CN disclosed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 — — EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 — — 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 MAPT 3514/4885KDM4E 713/4885ALDH1A1 2326/4885

“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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