SCHEMBL5175291

SCHEMBL5175291

CC(C)(C)c1ccc(CNCCc2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.55
GLA P06280 1/20 0.55
ROCK1 Q13464 1/20 0.47
KIF11 P52732 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GRIA4 P48058 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ESRRG P62508 2/20 0.43

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
SCHEMBL20902780 0.90 CA1 (0.71) CA1CA2L3MBTL1GAAMAPT
SCHEMBL5176818 0.85 CA1 (0.62) CA1CA2ALDH1A1L3MBTL1GAA
SCHEMBL3244363 0.83 CA1 (0.64) CA1CA2LMNAHTTSMN1; SMN2
SCHEMBL3240039 0.83 GAA (0.67) CA1CA2ALDH1A1LMNAKDM4E
SCHEMBL3273909 0.82 L3MBTL1 (0.68) CA1CA2ALDH1A1LMNAHTT
SCHEMBL4027745 0.82 CA1 (0.62) CA1CA2LMNAL3MBTL1ESRRG
SCHEMBL4027988 0.82 CA1 (0.62) CA1CA2LMNAL3MBTL1GAA
SCHEMBL3244925 0.82 CA1 (0.62) CA1CA2ALDH1A1LMNAHTT
SCHEMBL5177437 0.82 NPC1 (0.58) CA1CA2ALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL4026088 0.81 L3MBTL1 (0.66) CA1CA2ALDH1A1LMNAKDM4E

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-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP CA1 4376/4885CA2 2610/4885ALDH1A1 2428/4885

“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.