SCHEMBL2910673

SCHEMBL2910673

COC(=O)c1cc(N(Cc2cccnc2)c2cccc(Cl)c2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
PDE4B Q07343 1/20 0.43
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDK1 Q15118 4/20 0.42
DHODH Q02127 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL2903452 0.92 PDK1 (0.45) CYP1A2CYP3A4TSHRBLMMAPK1
SCHEMBL2904970 0.90 MKNK1 (0.45) CYP1A2CYP3A4TSHRBLML3MBTL1
SCHEMBL2909456 0.85 PDK1 (0.44) MAPK1HCRTR1HCRTR2RECQLPDK1
SCHEMBL1157430 0.85 MAPK1 (0.46) MAPK1ALDH1A1PKMPDE4BPDK1
SCHEMBL2908802 0.84 MKNK1 (0.53) MAPK1HCRTR1HCRTR2RECQLPDE4B
SCHEMBL4204742 0.79 ALDH1A1 (0.45) CYP1A2CYP3A4TSHRBLML3MBTL1
SCHEMBL1157440 0.79 MAPK1 (0.43) L3MBTL1MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL5407124 0.78 LMNA (0.41) MAPK1ALDH1A1PKMPDE4BPDK1
SCHEMBL1157376 0.78 PDE4B (0.43) MAPK1HCRTR1HCRTR2ALDH1A1PKM
SCHEMBL2907011 0.77 GRM2 (0.46) CYP1A2CYP3A4TSHRBLML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B CYP1A2 256/4885CYP3A4 104/4885TSHR 2263/4885

“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.