SCHEMBL25204309

SCHEMBL25204309

c1csc(C2=NCCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.46
MAPT P10636 3/20 0.43
RPS6KB2 Q9UBS0 2/20 0.41
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 5/20 0.36
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HCRTR1 O43613 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL11292201 0.89 MAPT (0.45) NISCHMAPTRPS6KB2KDM4EALDH1A1
SCHEMBL2572924 0.71 NOS3 (0.41) NISCHMAPTKDM4EALDH1A1HPGD
SCHEMBL131539 0.71 NOS3 (0.55) NOS3NOS1NOS2
SCHEMBL1645947 0.70 NOS3 (0.44) ALDH1A1HPGDNOS3NOS1NOS2
SCHEMBL2570914 0.69 NOS3 (0.40) SMN1; SMN2NOS3NOS1NOS2
SCHEMBL9319771 0.69 CHRNB4 (0.44) NISCHMAPTALDH1A1HPGDNPC1
SCHEMBL1607048 0.69 RPS6KB2 (0.42) NISCHMAPTRPS6KB2KDM4EALDH1A1
SCHEMBL1646929 0.68 NOS3 (0.39) NISCHNPC1NOS3NOS1NOS2
SCHEMBL15664526 0.68 NISCH (0.46) NISCHMAPTKDM4EALDH1A1MEN1
SCHEMBL27238090 0.68 RPS6KB2 (0.41) NISCHMAPTRPS6KB2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4556468-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS University of KwaZulu-Natal (ZA) 2025-05-21 EP claimed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US claimed
EP-4185571-B1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIV OF KWAZULU NATAL (ZA) 2026-05-20 EP disclosed
US-12441721-B2 Synthesis of heterocyclic compounds from carboxamide and carboxamide derivatives with haloalkanols UNIVERSITY OF KWAZULU-NATAL (ZA) 2025-10-14 US disclosed
EP-4556468-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS University of KwaZulu-Natal (ZA) 2025-05-21 EP disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
EP-4185571-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS University Of Kwazulu-Natal (ZA) 2023-05-31 EP disclosed
CN-116057047-A Synthesis of heterocyclic compounds from carboxamides and carboxamide derivatives and haloalkanols 夸祖鲁-纳塔尔大学 2023-05-02 CN 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-12441721-B2 Synthesis of heterocyclic compounds from carboxamide and carboxamide derivatives with haloalkanols NAAA, CNR2, AADAC NISCH 46/4885MAPT 4373/4885RPS6KB2 3063/4885
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS NAAA, CNR2, AADAC NISCH 46/4885MAPT 4373/4885RPS6KB2 3063/4885

“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.