SCHEMBL24702452

SCHEMBL24702452

C=C(O)c1cnc(-c2cccnc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALOX5 P09917 1/20 0.49
CYP2A6 P11509 4/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 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
SCHEMBL1421843 0.85 MKNK1 (0.62) HPGDSSMN1; SMN2KDM4EALOX5CYP2A6
SCHEMBL27768593 0.83 NPC1 (0.59) HPGDSSMN1; SMN2KDM4EALOX5CYP2A6
SCHEMBL12725601 0.81 NPC1 (0.49) HPGDSSMN1; SMN2KDM4ECYP2A6RAB9A
SCHEMBL14343335 0.81 CYP3A4 (0.63) HPGDSSMN1; SMN2KDM4ECYP2A6RAB9A
SCHEMBL29548990 0.81 CYP3A4 (0.56) HPGDSSMN1; SMN2KDM4ECYP2A6RAB9A
SCHEMBL5392323 0.81 CYP3A4 (0.56) HPGDSSMN1; SMN2KDM4ECYP2A6RAB9A
Hydrochloric Acid SCHEMBL1421806 0.80 NPC1 (0.48) HPGDSSMN1; SMN2KDM4ECYP2A6RAB9A
SCHEMBL14343023 0.78 HPGDS (0.46) HPGDSSMN1; SMN2KDM4EALOX5CYP2A6
SCHEMBL14343021 0.78 HPGDS (0.46) HPGDSSMN1; SMN2KDM4EALOX5CYP2A6
SCHEMBL11388698 0.78 ALDH1A1 (0.51) HPGDSSMN1; SMN2CYP2A6RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-12-15 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 (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-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GOT2, ABAT, SDHA HPGDS 1322/4885SMN1; SMN2 3634/4885KDM4E 2689/4885

“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.