SCHEMBL2078431

SCHEMBL2078431

CCOC(=O)c1c(Cl)nc2c(c1Cl)CCN(C(=O)OCC)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.47
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.40
ADORA1 P30542 1/20 0.39
NPSR1 Q6W5P4 6/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6501518 0.84 ACHE (0.48) SMYD3ALDH1A1MAPK1LMNAMAPT
SCHEMBL9693761 0.77 MAPT (0.49) SMYD3ALDH1A1MAPK1LMNAMAPT
SCHEMBL11834683 0.75 SMYD3 (0.60) SMYD3ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL2080285 0.74 LMNA (0.52) ALDH1A1MAPK1LMNAADORA1NPSR1
SCHEMBL11835309 0.74 SMN1; SMN2 (0.58) ALDH1A1MAPK1LMNANPSR1MAPT
SCHEMBL19637802 0.70 KDM4E (0.42) SMYD3ALDH1A1LMNANPSR1MAPT
SCHEMBL1623434 0.70 SMN1; SMN2 (0.46) SMYD3ALDH1A1MAPTHPGDTSHR
SCHEMBL11070060 0.69 KDM4E (0.45) ALDH1A1ADORA1MAPTHPGDTSHR
SCHEMBL2078435 0.69 ADORA1 (0.53) ALDH1A1LMNAADORA1NPSR1MAPT
SCHEMBL10272393 0.68 SMN1; SMN2 (0.45) SMYD3ALDH1A1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US claimed
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO claimed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 US claimed
US-7897595-B2 Pyridoazepine derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-01 US disclosed
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 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-20070281918-A1 PYRIDOAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A SMYD3 2260/4885ALDH1A1 2362/4885MAPK1 3476/4885

“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.