SCHEMBL2580201

SCHEMBL2580201

CCOC(=O)C1CCc2c1[nH]c1ccc(/C(N)=N\O)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
GAA P10253 1/20 0.68
HTT P42858 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 1/20 0.60
SIRT1 Q96EB6 12/20 0.49
ALDH1A1 P00352 1/20 0.48
SIRT2 Q8IXJ6 4/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIRT3 Q9NTG7 2/20 0.43
PLK4 O00444 1/20 0.42

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
SCHEMBL2580202 1.00 MAPT (0.68) MAPTGAAHTTNPSR1MEN1
SCHEMBL2563862 0.85 MAPT (0.52) MAPTGAAHTTNPSR1MEN1
SCHEMBL2563864 0.85 MAPT (0.52) MAPTGAAHTTNPSR1MEN1
SCHEMBL3719083 0.82 MAPT (0.67) MAPTGAAHTTNPSR1MEN1
SCHEMBL2563570 0.81 MAPT (0.66) MAPTGAAHTTNPSR1MEN1
SCHEMBL2566747 0.79 KMT2A (0.62) MAPTGAAHTTNPSR1MEN1
SCHEMBL2566334 0.78 S1PR1 (0.51) SIRT1MAPKAPK2
SCHEMBL2566332 0.78 S1PR1 (0.51) SIRT1MAPKAPK2
SCHEMBL4725046 0.75 MEN1 (1.00) MAPTGAAHTTNPSR1MEN1
SCHEMBL16266024 0.75 MAPT (0.77) MAPTGAAHTTNPSR1MEN1

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
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
EP-2222668-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2010-09-01 EP disclosed
WO-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 WO 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-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 MAPT 3431/4885GAA 4561/4885HTT 4013/4885

“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.