SCHEMBL1980240

SCHEMBL1980240

CCc1cc(N)c(C)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ MAPT P10636 6/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL23797211 0.84 L3MBTL1 (0.45) ALDH1A1MAPTHTTHSD17B10HIF1A
SCHEMBL1981032 0.79 ALDH1A1 (0.38) ALDH1A1MAPTHTTHSD17B10MEN1
SCHEMBL24195940 0.79 KHK (0.40) ALDH1A1MAPTHTTHSD17B10MEN1
SCHEMBL13147636 0.79 TSHR (0.48) ALDH1A1MAPTHTTHSD17B10HIF1A
SCHEMBL2153696 0.79 PDE3B (0.41) ALDH1A1MAPTHTTHSD17B10MEN1
SCHEMBL7024058 0.77 TSHR (0.52) ALDH1A1MAPTHSD17B10HIF1ACYP1A2
SCHEMBL16054244 0.77 SNCA (0.42) ALDH1A1MAPTHTTHSD17B10HIF1A
SCHEMBL27053753 0.76 ALDH1A1 (0.38) ALDH1A1MAPTHTTHSD17B10CYP1A2
SCHEMBL12959692 0.76 L3MBTL1 (0.40) ALDH1A1MAPTHTTHIF1AMEN1
SCHEMBL273646 0.75 ALDH1A1 (0.46) ALDH1A1MAPTHTTHSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 — — US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 — — US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 — — EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 — — WO disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 — — 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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 ALDH1A1 2182/4885MAPT 3368/4885HTT 4792/4885

“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.

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