SCHEMBL4859153

SCHEMBL4859153

CCc1nc(-c2ccccc2)cc(=O)n1CCN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.51
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
RAD51 Q06609 1/20 0.41
EGFR P00533 1/20 0.41
ADORA2A P29274 2/20 0.40
PDE5A O76074 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
BACE1 P56817 1/20 0.39
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL4850527 0.86 GSK3B (0.51) GSK3BALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL4850739 0.81 GSK3B (0.47) GSK3BALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4859678 0.80 GSK3B (0.43) GSK3BALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL4859470 0.77 GSK3B (0.43) GSK3BALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL4859201 0.76 HTT (0.56) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5935580 0.75 ALDH1A1 (0.44) GSK3BALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL7701544 0.75 GSK3B (0.41) GSK3BALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL10843846 0.74 ALDH1A1 (0.59) GSK3BALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL10844711 0.74 GSK3B (0.51) GSK3BALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL4859287 0.72 PPARG (0.48)

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
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 US disclosed
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 US disclosed
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 US disclosed
US-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2003-01-16 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-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them GPR119, FFAR1, FFAR3 GSK3B 1097/4885ALDH1A1 308/4885SMN1; SMN2 3836/4885

“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.