SCHEMBL30002927

SCHEMBL30002927

CS(=O)(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
MAPK1 P28482 2/20 0.67
HSD17B10 Q99714 1/20 0.67
NPSR1 Q6W5P4 2/20 0.60
NOD1 Q9Y239 1/20 0.60
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.53
ALOX12 P18054 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
PKM P14618 2/20 0.50
MAPT P10636 2/20 0.50
MAOB P27338 1/20 0.50
ADORA2A P29274 1/20 0.50
BCHE P06276 1/20 0.50
TRPC3 Q13507 1/20 0.50
TRPC4 Q9UBN4 1/20 0.50
TRPC5 Q9UL62 1/20 0.50
OPRK1 P41145 1/20 0.49

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
SCHEMBL4873251 1.00 ALDH1A1 (0.67) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL14009913 0.83 ALDH1A1 (0.67) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL2586949 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL2586952 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL10177417 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL10177419 0.79 ALDH1A1 (0.55) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL128646 0.79 NPC1 (0.46) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL8019524 0.79 ADORA2A (0.56) ALDH1A1MAPK1HSD17B10LMNARAB9A
SCHEMBL989439 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1HSD17B10NPSR1NOD1
SCHEMBL7080895 0.76 ALDH1A1 (0.62) ALDH1A1MAPK1HSD17B10NPSR1NOD1

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-12150924-B2 Compositions and methods for treating autism YAMO PHARMACEUTICALS LLC (US) 2024-11-26 US disclosed
CN-114901272-A Sustained release preparation 霍夫曼技术有限责任公司 2022-08-12 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-12150924-B2 Compositions and methods for treating autism MECP2, AADAT, CHAT ALDH1A1 876/4885MAPK1 3286/4885HSD17B10 2613/4885

“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.