SCHEMBL4445693

SCHEMBL4445693

COc1cccn(-c2ccc(N)c(F)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
EGFR P00533 1/20 0.42
CYP1A2 P05177 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM1 Q13255 3/20 0.39
MAPT P10636 2/20 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
SCHEMBL4453531 0.86 FFAR4 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1028959 0.81 RXFP1 (0.46) MAPTALDH1A1RXFP1
SCHEMBL1945001 0.81 L3MBTL1 (0.47) CYP1A2L3MBTL1ALDH1A1GAAHSD11B1
SCHEMBL2991826 0.78 ALDH1A1 (0.39) MAPTTP53ALDH1A1RXFP1
SCHEMBL2995700 0.76 DUT (0.39) RXFP1
SCHEMBL4710508 0.75 RXFP1 (0.41) MAPTTP53ALDH1A1RXFP1THRB
SCHEMBL30104800 0.74 F10 (0.43) ALDH1A1
SCHEMBL632873 0.74 F10 (0.43) ALDH1A1
SCHEMBL10059740 0.74 GAA (0.46) CYP1A2L3MBTL1ALDH1A1GAAHSD11B1
SCHEMBL27261451 0.73 ALDH1A1 (0.41) EGFRCYP1A2L3MBTL1GRM1ALDH1A1

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-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 US disclosed
EP-1732918-B1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1732918-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092881-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed
US-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 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-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F9, F2, F12 TUBB4A 3336/4885TUBB 3831/4885TUBA3C 1617/4885

“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.