SCHEMBL3551759

SCHEMBL3551759

Nc1cnc2ccccc2c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
DHODH Q02127 4/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
NCF1 P14598 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.42
MGAM O43451 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GPR3 P46089 1/20 0.41
ERN1 O75460 1/20 0.41
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL2606615 0.86 LCK (0.45) PDE10AHSD17B10ALDH1A1HPGDALOX15
SCHEMBL18745 0.81 PDE10A (0.51) PDE10ADHODHLMNATSHRHSD17B10
SCHEMBL2604999 0.81 ERN1 (0.41) PDE10ADHODHLMNATSHRHSD17B10
SCHEMBL14406051 0.81 NUDT1 (0.43) LMNATSHRHSD17B10ALDH1A1HPGD
SCHEMBL5778001 0.80 MEN1 (0.52) LMNATSHRHSD17B10ALDH1A1HPGD
SCHEMBL352547 0.80 PDE10A (0.50) PDE10ADHODHLMNATSHRHSD17B10
SCHEMBL1759028 0.80 ERN1 (0.54) PDE10ADHODHLMNATSHRHSD17B10
SCHEMBL29450068 0.80 PDE10A (0.50) PDE10ADHODHLMNATSHRHSD17B10
SCHEMBL24338810 0.79 PDE10A (0.49) PDE10ADHODHLMNATSHRHSD17B10
SCHEMBL5759350 0.79 PDE10A (0.57) PDE10ADHODHLMNATSHRHSD17B10

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-101203518-B Fluorene derivative, composition containing the same and use thereof AVENTIS PHARMA SA 2013-07-24 CN disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US disclosed
CN-101203518-A Novel fluorene derivatives, compositions containing same and uses thereof AVENTIS PHARMA SA (FR) 2008-06-18 CN 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 PDE10A 3306/4885DHODH 3140/4885LMNA 3461/4885

“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.