SCHEMBL3288323

SCHEMBL3288323

CSc1nc(N)c(C(=O)OC(C)C)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL3287425 0.82 HCAR1 (0.39) HCAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL26611054 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14513510 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL3285904 0.80 HCAR1 (0.37) HCAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3285303 0.80 ALDH1A1 (0.41) HCAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3290383 0.79 MEN1 (0.37) HCAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3285773 0.78 ALDH1A1 (0.38) HCAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3286170 0.77 ALDH1A1 (0.37) HCAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3288354 0.75 PTGS2 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL3287269 0.74 NTRK1 (0.36) HCAR1ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 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-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders GABRB1, GABBR2, GABBR1 HCAR1 181/4885ALDH1A1 1225/4885MEN1 4338/4885

“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.