SCHEMBL5848757

SCHEMBL5848757

CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)CN1CCCc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PSMB5 P28074 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KEAP1 Q14145 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
CARM1 Q86X55 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6866717 0.87 ALDH1A1 (0.40) ALDH1A1KDM4ENPSR1PSMB5MEN1
Hydrochloric Acid SCHEMBL5848656 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ENPSR1PSMB5MEN1
SCHEMBL5849150 0.85 ACACB (0.46) PSMB5CARM1
SCHEMBL5848796 0.84 ALDH1A1 (0.40) ALDH1A1PSMB5MEN1KMT2AUSP2
SCHEMBL5848152 0.83 POLB (0.43) ALDH1A1MEN1KMT2AUSP2CARM1
SCHEMBL5848714 0.83 POLB (0.43) ALDH1A1MEN1KMT2AUSP2CARM1
SCHEMBL5850486 0.83 ALDH1A1 (0.37) ALDH1A1PSMB5MEN1KMT2AUSP2
SCHEMBL5848719 0.82 POLB (0.52) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5850513 0.82 TAOK1 (0.43) ALDH1A1PSMB5MEN1KMT2AUSP2
SCHEMBL5848493 0.82 TAOK1 (0.43) ALDH1A1PSMB5MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 1884/4885KDM4E 4166/4885NPSR1 1648/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS ALDH1A1 3625/4885KDM4E 4386/4885NPSR1 1705/4885

“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.