SCHEMBL5379552

SCHEMBL5379552

Cc1cc(N)ccc1N1C(=O)C2CCC1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
THRB P10828 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
NR4A1 P22736 1/20 0.44
PTK2B Q14289 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
GFER P55789 2/20 0.39
RAD52 P43351 1/20 0.39
CYP19A1 P11511 1/20 0.38
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
CRBN Q96SW2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL5375857 0.81 NR4A1 (0.47) ALDH1A1MAPTGAANR4A1KDM4E
SCHEMBL12795791 0.79 CYP19A1 (0.34) ALDH1A1GAACYP19A1POLBHTT
SCHEMBL77022 0.78 GAA (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5371284 0.77 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL76493 0.74 CYP19A1 (0.47) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL14642921 0.70 MAPT (0.44) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL26644432 0.69 ALDH1A1 (0.54) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL26644500 0.69 MAPT (0.46) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL30912568 0.69 MAPT (0.46) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL188287 0.69 MAPT (0.63) ALDH1A1MAPTMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 ALDH1A1 489/4885MAPT 4360/4885MEN1 2997/4885

“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.