SCHEMBL27039751

SCHEMBL27039751

C=C(SC)C(=O)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
KMT2A Q03164 1/20 0.46
GSK3B P49841 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GRM4 Q14833 1/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 3/20 0.43
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
MITF O75030 1/20 0.41
CTNNB1 P35222 1/20 0.41

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
SCHEMBL19380365 0.81 ALDH1A1 (0.47) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL3035558 0.79 CES2 (0.69) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29466797 0.78 CES2 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29466796 0.78 CES2 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL211487 0.78 CES2 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL21983894 0.77 ALDH1A1 (0.50) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL20809657 0.77 ALDH1A1 (0.61) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL6219587 0.75 CES2 (0.75) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29976899 0.74 CES2 (0.82) CES2CES1ALDH1A1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL28413498 0.73 CES2 (0.72) CES2CES1ALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 US disclosed
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 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 (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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA CES2 2297/4885CES1 1862/4885ALDH1A1 717/4885

“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.