SCHEMBL31734656

SCHEMBL31734656

O=C1CC(=O)Nc2c(ccc3c2CCCC3)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.42
CMA1 P23946 2/20 0.42
PARP1 P09874 1/20 0.40
MAPT P10636 1/20 0.40
PDK2 Q15119 1/20 0.39
EIF2AK2 P19525 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
EPHX2 P34913 1/20 0.36
CES1 P23141 3/20 0.36
GRIA1 P42261 2/20 0.36
CACNG8 Q8WXS5 2/20 0.36
CTRC Q99895 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RX4 Q99571 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34

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
SCHEMBL17744153 0.97 PARP1 (0.44) AHRCMA1PARP1MAPTPDK2
SCHEMBL852124 0.73 PARP1 (0.47) PARP1MAPTCES1GRIA1NPC1
SCHEMBL18289462 0.71 AHR (0.52) AHRCMA1PDK2EIF2AK2HTR1D
SCHEMBL20143474 0.68 P2RX4 (0.59) MAPTP2RX4
SCHEMBL2254584 0.67 PARP1 (0.53) PARP1CES1CTRC
SCHEMBL10027162 0.66 PARP1 (0.41) PARP1MAPTCES1CTRCP2RX4
SCHEMBL18289475 0.66 AHR (0.59) AHRCMA1PDK2EIF2AK2PDE3B
SCHEMBL18289479 0.66 AHR (0.50) AHRCMA1PDK2EIF2AK2HTR1D
SCHEMBL31734657 0.66 CREBBP (0.58) AHRMAPTPDK2GRIA1CACNG8
SCHEMBL1278375 0.65 BCL2L1 (0.52) PARP1CES1GRIA1

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-20250360143-A1 COMPOSITIONS AND METHODS FOR PHARMACOLOGIC TREATMENT OF STROKE AND MYOCARDIAL ISCHEMIA REPERFUSION INJURY UNIV CONNECTICUT (US) 2025-11-27 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-20250360143-A1 COMPOSITIONS AND METHODS FOR PHARMACOLOGIC TREATMENT OF STROKE AND MYOCARDIAL ISCHEMIA REPERFUSION INJURY PLAT, SERPINE1, SERPINC1 AHR 4768/4885CMA1 324/4885PARP1 2722/4885

“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.