SCHEMBL3079980

SCHEMBL3079980

CSc1ccc(Cn2c[c]c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.42
DRD2 P14416 1/20 0.41
ATM Q13315 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
F2R P25116 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 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
SCHEMBL3079071 0.83 LMNA (0.50) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL3086235 0.83 TP53 (0.38) SMN1; SMN2F2RKMT2AKDM4EMAPK1
SCHEMBL694560 0.82 TNF (0.44) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL27905750 0.81 HTT (0.49) DRD2SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL5198251 0.80 APP (0.40) SMN1; SMN2CYP3A4MAPK1LMNACYP11B1
SCHEMBL3849945 0.80 ALDH1A1 (0.46) SMN1; SMN2KMT2AMEN1KDM4EMAPT
SCHEMBL3091133 0.79 P2RX4 (0.48) SMN1; SMN2KDM4EMAPTMAPK1ALDH1A1
SCHEMBL3088022 0.79 ALOX5AP (0.40) DRD2SMN1; SMN2F2RMAPTMAPK1
SCHEMBL17956236 0.78 CNR1 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL5138333 0.76 HTR6 (0.45) DRD2SMN1; SMN2CYP1A2CYP3A4CYP2C9

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 XDH 1074/4885DRD2 1397/4885ATM 1496/4885

“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.