SCHEMBL5555738

SCHEMBL5555738

O=C(O)N[C@H]1CCCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ SLC6A1 P30531 2/20 0.44
▸ SLC6A11 P48066 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SLC6A13 Q9NSD5 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ PBK Q96KB5 2/20 0.39
▸ CPN1 P15169 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39

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
SCHEMBL1469604 1.00 EPHX1 (0.46) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL20824836 1.00 EPHX1 (0.46) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL475548 0.94 SLC6A1 (0.50) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL1968950 0.94 SLC6A1 (0.50) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL148965 0.94 SLC6A1 (0.50) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
Hydrochloric Acid SCHEMBL17560394 0.92 SLC6A1 (0.48) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL184265 0.85 — —
SCHEMBL1749149 0.85 — —
SCHEMBL512691 0.85 — —
Hydrochloric Acid SCHEMBL23778361 0.83 EPHX1 (0.50) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302418-A Aromatic heterocyclic compound and application thereof 中国科学院上海药物研究所 2024-07-05 — — CN disclosed
CN-113840820-B Phthalazinone compounds and uses thereof ST制药株式会社 2024-05-03 — — CN disclosed
CN-116102533-A Aromatic heterocyclic compound and application thereof 中国科学院上海药物研究所 2023-05-12 — — CN disclosed
CN-115697987-A Estrogen receptor modulator compounds and uses thereof 江苏先声药业有限公司 2023-02-03 — — CN disclosed
CN-113840820-A Phthalazinone compounds and uses thereof ST制药株式会社 2021-12-24 — — CN disclosed
WO-2020242245-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF 에스티팜 주식회사 2020-12-03 — — WO 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 EPHX1 2590/4885SMN1; SMN2 4643/4885SLC6A1 4645/4885

“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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