SCHEMBL3094629

SCHEMBL3094629

Cc1ccc(CC2=N[N]c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
STAT3 P40763 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LTA4H P09960 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL3082719 0.86 MAPT (0.42) SMN1; SMN2ALDH1A1KDM4EHTTLMNA
SCHEMBL5601100 0.85 CALM1 (0.42) SMN1; SMN2ALDH1A1TDP1HPGDNPC1
SCHEMBL3078136 0.82 RAB9A (0.39) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL1815962 0.71 KDM4E (0.33) ALDH1A1GAAKDM4EHPGDTP53
SCHEMBL3094613 0.70 SMN1; SMN2 (0.39) C3AR1SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL5602494 0.69 NPC1 (0.37) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL5602078 0.68 KDM4E (0.33) ALDH1A1KDM4EKCNH2POLB
SCHEMBL5601388 0.68 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AHPGDNPC1RAB9A
SCHEMBL324748 0.66 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1GAALMNAMAPT
SCHEMBL275839 0.66 CALM1 (0.67) SMN1; SMN2ALDH1A1KDM4EHTTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 C3AR1 411/4885SMN1; SMN2 3852/4885ALDH1A1 1026/4885

“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.