SCHEMBL5848748

SCHEMBL5848748

CC(C)CCC(=O)C(NC(=O)c1cccc(OCc2ccccc2)c1)N1CCCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
ESR2 Q92731 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GPR132 Q9UNW8 6/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMPD1 P17405 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL5850500 0.91 TAOK1 (0.46) KMT2AMAPTMAPK1HTTMEN1
SCHEMBL5848665 0.86 MAPT (0.47) ALDH1A1TSHRKMT2AMAPTLMNA
SCHEMBL5848775 0.85 GPR132 (0.46) ALDH1A1GAATSHRKMT2AMAPT
SCHEMBL5848341 0.84 SGMS2 (0.42) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL5848702 0.79 GPR132 (0.50) ALDH1A1GAATSHRKMT2AMAPT
SCHEMBL5850381 0.77 HRH3 (0.47) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL5850056 0.76 CTSK (0.50) CTSK
SCHEMBL5850038 0.75 TAOK1 (0.49) KMT2AMAPK1HTTMEN1CTSK
SCHEMBL13702183 0.74 GPR132 (0.73) KMT2AGPR132MEN1SMPD1CTSK
SCHEMBL7481175 0.72 MAOB (0.64) KMT2AGPR132MEN1SMPD1MAOB

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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US claimed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US disclosed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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 (2 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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 ALDH1A1 1884/4885GAA 616/4885TSHR 4637/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS ALDH1A1 3625/4885GAA 349/4885TSHR 4723/4885

“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.