SCHEMBL13879635

SCHEMBL13879635

CN(C)c1ccc(/C=C/C(=O)N2CCCCC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TRPV1 Q8NER1 2/20 0.54
MAOB P27338 4/20 0.54
BCHE P06276 2/20 0.54
MAOA P21397 2/20 0.54
ACHE P22303 2/20 0.54
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GPR183 P32249 3/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ITGB2 P05107 2/20 0.49
ICAM1 P05362 2/20 0.49

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
SCHEMBL13879634 0.88 RAB9A (0.73) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL19508587 0.82 HSD17B3 (0.54) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL13879638 0.82 NPC1 (0.62) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL6499764 0.78 ITGB2 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL6499766 0.78 ITGB2 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL6495203 0.77 CAPN1 (0.49) ALDH1A1NPC1RAB9AKMT2ATDP1
SCHEMBL6495207 0.77 CAPN1 (0.49) ALDH1A1NPC1RAB9AKMT2ATDP1
SCHEMBL13879636 0.77 NPC1 (0.44) ALDH1A1NPC1RAB9ATDP1MAOB
SCHEMBL8296935 0.77 CAPN1 (0.49) ALDH1A1NPC1RAB9AKMT2ATDP1
SCHEMBL3122595 0.76 NPC1 (0.72) ALDH1A1MAPTHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 ALDH1A1 1500/4885MAPT 4203/4885HPGD 2354/4885

“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.