SCHEMBL4883358

SCHEMBL4883358

C=CCc1sc2ccccc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
LIMK1 P53667 2/20 0.42
IKBKB O14920 1/20 0.42
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 2/20 0.38
CASP3 P42574 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL5473774 0.80 LOXL2 (0.42) LOXL2GPR3ALDH1A1MAPTHPGD
SCHEMBL18731102 0.77 LOXL2 (0.66) LOXL2LIMK1IKBKBGPR3ALDH1A1
SCHEMBL10481496 0.73 PRNP (0.42) LOXL2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9491732 0.72 HPGD (0.44) LOXL2GPR3ALDH1A1MAPTHPGD
SCHEMBL3845362 0.71 TNKS (0.38) LOXL2MAPTKDM4EMEN1KMT2A
SCHEMBL6911529 0.69 CNR2 (0.54) LOXL2LIMK1IKBKBGPR3ALDH1A1
SCHEMBL3769911 0.68 GPR3 (0.55) LOXL2LIMK1IKBKBGPR3ALDH1A1
SCHEMBL176274 0.67 GPR3 (0.48) LOXL2GPR3ALDH1A1MAPTHPGD
SCHEMBL4557012 0.67 GPR3 (0.43) GPR3ALDH1A1MAPTHPGDKDM4E
Iodide SCHEMBL30577896 0.66 GPR3 (0.52) LOXL2LIMK1IKBKBGPR3ALDH1A1

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-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US disclosed
WO-2006019497-A2 SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2006-02-23 WO disclosed
US-20060014797-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-01-19 US 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-20060014797-A1 Sleep inducing compounds and methods relating thereto CHRM1, CNR1, HRH3 LOXL2 1236/4885LIMK1 4384/4885IKBKB 624/4885

“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.