SCHEMBL3091129

SCHEMBL3091129

COc1ccc(Cn2[c]cc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.48
KDM4E B2RXH2 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CNR2 P34972 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR3A P46098 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALOX15 P16050 1/20 0.42
CMA1 P23946 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL29136196 0.85 MAPT (0.43) KDM4EHTTALDH1A1LMNASIGMAR1
SCHEMBL29136202 0.84 KMT2A (0.55) KDM4ESMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL3079067 0.83 P2RX4 (0.44) P2RX4KDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL3086229 0.83 CYP1A2 (0.39) KDM4EPOLBTP53NPC1RAB9A
SCHEMBL1201646 0.82 RECQL (0.44) P2RX4SMN1; SMN2ALDH1A1LMNASIGMAR1
SCHEMBL29136185 0.81 CCR2 (0.52) KDM4EALDH1A1POLBTP53MAPT
SCHEMBL29136188 0.80 RAB9A (0.42) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL3088019 0.79 ALOX5AP (0.42) SMN1; SMN2ALDH1A1GAAPOLBTP53
SCHEMBL29136197 0.77 KDM4E (0.44) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL28415278 0.75 DCTPP1 (0.41) KDM4ESMN1; SMN2HTTALDH1A1LMNA

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
CN-117003739-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 安徽中医药大学 2023-11-07 CN disclosed
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 EP 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-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR P2RX4 1442/4885KDM4E 2711/4885SMN1; SMN2 3852/4885

“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.