SCHEMBL23832437

SCHEMBL23832437

COCOc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
FLT3 P36888 2/20 0.39
AGXT P21549 2/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
PDGFRB P09619 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.36
S1PR4 O95977 1/20 0.36
MEN1 O00255 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALOX5 P09917 1/20 0.35
RELA Q04206 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL30199419 1.00 CYP2A6 (0.43) CYP2A6FLT3AGXTMAPTLMNA
SCHEMBL30439601 0.96 CYP2A6 (0.45) CYP2A6FLT3AGXTMAPTLMNA
SCHEMBL23832432 0.96 CYP2A6 (0.45) CYP2A6FLT3AGXTMAPTLMNA
SCHEMBL14926619 0.83 KDM4E (0.47) CYP2A6MAPTHTTKDM4EMAPK1
SCHEMBL812098 0.81 MAOB (0.44) CYP1A2KMT2AMEN1PTGS2
SCHEMBL29936898 0.80 CYP1A2 (0.59) CYP2A6AGXTMAPTLMNAHTT
SCHEMBL1961527 0.80 CYP1A2 (0.59) CYP2A6AGXTMAPTLMNAHTT
SCHEMBL2171086 0.80 KMT2A (0.53) CYP2A6MAPTLMNAHTTCYP1A2
SCHEMBL12454839 0.80 NQO1 (0.52) MAPTCYP1A2KDM4EMAPK1TDP1
SCHEMBL700133 0.78 WDR5 (0.51) LMNAHTTKDM4EMAPK1KMT2A

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
US-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 UNIV TEXAS (US) 2023-05-18 US disclosed
CN-116134015-A Selective acyclic nucleotide activating factor for CAMP sensor EPAC1 得克萨斯州大学系统董事会 2023-05-16 CN disclosed
EP-4121411-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-01-25 EP disclosed
WO-2021188728-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-23 WO 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-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 CREB1, RAPGEF4, ATF4 CYP2A6 3695/4885FLT3 4208/4885AGXT 4567/4885

“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.