SCHEMBL4896861

SCHEMBL4896861

CC(C)C(=O)Nc1ccc(C(=O)CCl)cn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
TP53 P04637 4/20 0.50
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 1/20 0.45
HDAC1 Q13547 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HCAR3 P49019 5/20 0.44
MAPT P10636 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HIF1A Q16665 1/20 0.43
EPHX2 P34913 1/20 0.42
DEGS1 O15121 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
SCHEMBL9772954 0.85 ALDH1A1 (0.51) ALDH1A1LMNARAB9ANPC1TP53
SCHEMBL6576391 0.83 ALDH1A1 (0.58) ALDH1A1RAB9ATP53SMN1; SMN2HCAR3
SCHEMBL19728680 0.81 HCAR3 (0.66) ALDH1A1LMNARAB9ANPC1TP53
SCHEMBL3466195 0.80 NNMT (0.63) ALDH1A1LMNARAB9ANPC1TP53
SCHEMBL14020794 0.79 HCAR3 (0.71) ALDH1A1TP53HCAR3HCAR2HIF1A
SCHEMBL19728674 0.79 ALDH1A1 (0.56) ALDH1A1LMNARAB9ANPC1TP53
SCHEMBL25543874 0.79 ALDH1A1 (0.53) ALDH1A1LMNARAB9ANPC1TP53
SCHEMBL19699552 0.76 L3MBTL1 (0.68) ALDH1A1LMNARAB9ANPC1TP53
SCHEMBL9891790 0.74 RAB9A (0.68) ALDH1A1LMNARAB9ANPC1TP53
SCHEMBL9769258 0.73 RAB9A (0.55) ALDH1A1LMNARAB9ANPC1TP53

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-20080255364-A1 Method For The Production A-Chloroalkylpyridyl Ketones And/Or The Hydrochlorides Thereof BASF AKTIENGESELLSCHAFT (DE) 2008-10-16 US claimed
CN-1956957-A Method for the production of a-chloroalkylpyridyl ketones and/or the hydrochlorides thereof BASF AG (DE) 2007-05-02 CN claimed
EP-1751110-A1 METHOD FOR THE PRODUCTION OF A-CHLOROALKYLPYRIDYL KETONES AND/OR THE HYDROCHLORIDES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2007-02-14 EP claimed
WO-2005113505-A1 METHOD FOR THE PRODUCTION OF A-CHLOROALKYLPYRIDYL KETONES AND/OR THE HYDROCHLORIDES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-12-01 WO claimed
US-20080255364-A1 Method For The Production A-Chloroalkylpyridyl Ketones And/Or The Hydrochlorides Thereof BASF AKTIENGESELLSCHAFT (DE) 2008-10-16 US disclosed
CN-1956957-A Method for the production of a-chloroalkylpyridyl ketones and/or the hydrochlorides thereof BASF AG (DE) 2007-05-02 CN disclosed
EP-1751110-A1 METHOD FOR THE PRODUCTION OF A-CHLOROALKYLPYRIDYL KETONES AND/OR THE HYDROCHLORIDES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2007-02-14 EP disclosed
WO-2005113505-A1 METHOD FOR THE PRODUCTION OF A-CHLOROALKYLPYRIDYL KETONES AND/OR THE HYDROCHLORIDES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-12-01 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-20080255364-A1 Method For The Production A-Chloroalkylpyridyl Ketones And/Or The Hydrochlorides Thereof CBS, PCCA, ALK ALDH1A1 620/4885LMNA 452/4885RAB9A 1394/4885

“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.