SCHEMBL5900543

SCHEMBL5900543

CCOC(=O)CCc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PKM P14618 2/20 0.49
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
FDPS P14324 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KAT2B Q92831 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6643638 0.89 CYP4F2 (0.48) ALDH1A1PKMCYP4F2CYP4A11MAPT
SCHEMBL291399 0.86 ALDH1A1 (0.44) ALDH1A1PKMMAPTLMNAHTT
SCHEMBL2658210 0.83 PKM (0.51) ALDH1A1PKMMAPTLMNAHTT
SCHEMBL12530273 0.79 ALDH1A1 (0.44) ALDH1A1PKMMAPTLMNAHTT
SCHEMBL8042395 0.79 ALDH1A1 (0.38) ALDH1A1PKMCYP4F2CYP4A11MAPT
SCHEMBL4574427 0.79 ALDH1A1 (0.47) ALDH1A1PKMHTTTRPM8FDPS
SCHEMBL28011812 0.78 FDPS (0.46) ALDH1A1PKMMAPTTRPM8FDPS
SCHEMBL6970091 0.78 CYP3A4 (0.40) ALDH1A1PKMMAPTLMNAHTT
SCHEMBL3065923 0.78 ALDH1A1 (0.47) ALDH1A1PKMCYP4F2CYP4A11MAPT
SCHEMBL992041 0.77 FDPS (0.44) ALDH1A1MAPTFDPS

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors UNIV EMORY (US) 2024-07-04 US disclosed
US-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors UNIV EMORY (US) 2024-07-04 US disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed
US-20060142312-A1 C6-aryl and heteroaryl substituted pyrido[2,3-D] pyrimidin-7-ones PFIZER INC 2006-06-29 US disclosed
US-4649141-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-10 US disclosed
US-4639519-A 2-substituted alkylaminopyrimidones useful as H2 -antagonists and antiinflamatory agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-01-27 US disclosed
US-4558128-A ANTIHISTAMINE, ANTIINFLAMMATORY AGENT SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-12-10 US disclosed
US-4539207-A Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-09-03 US disclosed
US-4521418-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-04 US disclosed
US-4496567-A HSITAMINE H2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-01-29 US disclosed
US-4305945-A Isoureas and isothioureas SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-15 US disclosed
EP-0003677-B1 PYRIMIDONES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-11 EP disclosed
US-4234588-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-11-18 US disclosed
EP-0015138-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-03 EP disclosed
US-4216318-A HISTAMINE HZ-ANTAGONISTS, ISOCYTOSINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-05 US disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 WO disclosed
EP-0007232-A1 Iso(thio)ureas, processes for their preparation and compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-01-23 EP disclosed
EP-0003677-A2 Pyrimidones, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-08-22 EP disclosed
US-4154834-A HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 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 (2 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-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors GRIN2B, GRIN2A, GRIN2C ALDH1A1 1522/4885PKM 2475/4885CYP4F2 3337/4885
US-20060142312-A1 C6-aryl and heteroaryl substituted pyrido[2,3-D] pyrimidin-7-ones CDK4, CDK2, CCNA1 ALDH1A1 794/4885PKM 1310/4885CYP4F2 1397/4885

“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.