SCHEMBL27178203

SCHEMBL27178203

CCC(=NNC(=O)c1cccc(C)c1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.80
ALDH1A1 P00352 7/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
KDM4E B2RXH2 3/20 0.63
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.56
KCNK3 O14649 2/20 0.56
KMT2A Q03164 2/20 0.56
KCNK9 Q9NPC2 2/20 0.56
POLB P06746 2/20 0.56
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KCNH2 Q12809 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.51

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
SCHEMBL30826067 1.00 MAPT (0.80) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL27178196 1.00 MAPT (0.80) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL27178077 0.89 SMN1; SMN2 (1.00) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL30826074 0.89 SMN1; SMN2 (1.00) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL27178068 0.89 SMN1; SMN2 (1.00) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL30826085 0.86 SMN1; SMN2 (0.85) MAPTALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL30826112 0.86 SMN1; SMN2 (0.85) MAPTALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL27178174 0.86 SMN1; SMN2 (0.85) MAPTALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL27178179 0.86 SMN1; SMN2 (0.85) MAPTALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL27178291 0.86 SMN1; SMN2 (0.85) MAPTALDH1A1SMN1; SMN2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4580403-A2 APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 EP claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US claimed
WO-2024050040-A2 APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 WO claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 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-20240101510-A1 APYRASE INHIBITORS APEH, DPEP1, PON1 MAPT 4135/4885ALDH1A1 827/4885SMN1; SMN2 4511/4885

“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.