SCHEMBL30733936

SCHEMBL30733936

O=C(c1cccs1)c1cccc2cccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
DAO P14920 1/20 0.44
HPGD P15428 5/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 3/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HDAC1 Q13547 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 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
SCHEMBL30733937 1.00 HPGDS (0.47) HPGDSCES2CES1DAOHPGD
SCHEMBL27001653 0.76 ALDH1A1 (0.46) HPGDSCES2CES1DAOHPGD
SCHEMBL5216245 0.76 NPC1 (0.50) HPGDSCES2CES1DAOHPGD
SCHEMBL8308442 0.76 HPGD (0.50) HPGDSCES2CES1DAOHPGD
SCHEMBL27004546 0.75 KMT2A (0.47) HPGDSHPGDLMNAALDH1A1MEN1
SCHEMBL27001658 0.74 HPGD (0.41) HPGDSDAOHPGDLMNAHTT
SCHEMBL182010 0.73 CES2 (0.71) HPGDSCES2CES1DAOHPGD
SCHEMBL17894087 0.72 HDAC4 (0.44) DAOHPGDLMNAALOX15ALDH1A1
SCHEMBL26538138 0.71 BAZ2B (0.41) MEN1KMT2APOLBKDM4ENPC1
SCHEMBL17894085 0.71 KDM4E (0.42) HPGDLMNAALDH1A1MEN1KMT2A

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-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2024-07-11 US disclosed
EP-4306522-A1 FUSED RING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND APPLICATION THEREOF Zhejiang University (CN) 2024-01-17 EP 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-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF TRPM2, TRPM8, TRPM7 HPGDS 1610/4885CES2 1196/4885CES1 1908/4885

“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.