SCHEMBL27178127

SCHEMBL27178127

CCC(C)=NNC(=O)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
MAPT P10636 5/20 0.66
KDM4E B2RXH2 2/20 0.66
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C19 P33261 2/20 0.60
NPC1 O15118 2/20 0.60
NFKB1 P19838 1/20 0.60
CASP3 P42574 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54

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
SCHEMBL27178121 1.00 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1562152 0.83 KDM4E (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1562150 0.83 KDM4E (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6636895 0.83 KDM4E (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2991662 0.80 KDM4E (0.60) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6635773 0.80 KDM4E (0.60) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2991665 0.80 KDM4E (0.60) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12124603 0.80 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22441528 0.78 OGG1 (0.61) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6635795 0.78 OGG1 (0.61) ALDH1A1MAPTKDM4EMEN1KMT2A

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 ALDH1A1 827/4885MAPT 4135/4885KDM4E 1535/4885

“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.