SCHEMBL25680596

SCHEMBL25680596

CCc1cc(CC)cc(NC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
CXCR4 P61073 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAPGEF4 Q8WZA2 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
SCHEMBL19844318 0.94 PTGS2 (0.36) SIGMAR1CXCR4PTGS2MAPTMEN1
SCHEMBL25112401 0.89 ACHE (0.36) SIGMAR1CXCR4PTGS2MAPTMEN1
SCHEMBL11259766 0.85 RAPGEF4 (0.42) PTGS2MAPTMEN1APAF1USP2
SCHEMBL3234059 0.84 ALDH1A1 (0.41) SIGMAR1PTGS2MAPTMEN1APAF1
SCHEMBL19629185 0.80 NPC1 (0.30) SIGMAR1ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL3190908 0.80 RAPGEF4 (0.39) SIGMAR1PTGS2MAPTMEN1APAF1
SCHEMBL439074 0.78 PTGS2 (0.48) PTGS2MAPTMEN1APAF1USP2
SCHEMBL28806252 0.78 PTGS2 (0.48) PTGS2MAPTMEN1APAF1USP2
SCHEMBL22549038 0.77 CREBBP (0.32) MAPTMEN1APAF1USP2ALDH1A1
SCHEMBL17615244 0.76 BACE1 (0.32)

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-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-06-29 US disclosed
US-20110256130-A1 METHODS OF TREATING INFLAMMATORY DISORDERS SQUARE 1 BANK 2011-10-20 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 (2 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-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE VIP, CYP11B2, CYP11B1 SIGMAR1 3444/4885CXCR4 52/4885PTGS2 496/4885
US-20110256130-A1 METHODS OF TREATING INFLAMMATORY DISORDERS TNF, MPO, MMP8 SIGMAR1 2100/4885CXCR4 508/4885PTGS2 43/4885

“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.