SCHEMBL3095270

SCHEMBL3095270

CSc1ccc(Cc2cccc(CSc3[c]cccc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DRD2 P14416 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LTA4H P09960 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
PTGDR Q13258 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3084401 0.88 TP53 (0.36) SLC6A4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3072382 0.86 LMNA (0.35) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3082324 0.83 TOP2A (0.37) SLC6A4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3097410 0.83 LTA4H (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4302 0.73 POLB (0.44) SLC6A4CYP1A2CYP3A4MAOAALDH1A1
SCHEMBL27613417 0.71 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL3091274 0.68 TP53 (0.31) LMNA
SCHEMBL9934897 0.68 ALDH1A1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3080439 0.68 TP53 (0.30)
SCHEMBL8991864 0.67 MAPK1 (0.47) MEN1KMT2ADRD2CYP1A2CYP3A4

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 SLC6A4 2602/4885SLC6A2 3399/4885SLC6A3 2000/4885

“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.