SCHEMBL4985408

SCHEMBL4985408

CC(C)(C)OC(=O)NCc1ccccc1C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 10/20 0.57
KCNA5 P22460 1/20 0.55
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ESRRG P62508 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2012264 0.84 NAMPT (0.58) SLC6A5KCNA5ESRRGNPC1RAB9A
SCHEMBL12434478 0.82 KCNA5 (0.73) KCNA5NPC1RAB9A
SCHEMBL14326995 0.82 CA2 (0.55) NPC1RAB9APOLBNAMPT
SCHEMBL13789463 0.79 KCNA5 (0.64) KCNA5
SCHEMBL24352345 0.78 KCNA5 (0.57) KCNA5NAMPTKMT2A
SCHEMBL29473197 0.78 KCNA5 (0.57) KCNA5NAMPTKMT2A
SCHEMBL12434235 0.78 KCNA5 (0.63) KCNA5POLB
SCHEMBL4598040 0.77 KCNA5 (0.56) KCNA5NPC1RAB9ANAMPTKMT2A
SCHEMBL9743749 0.77 KCNA5 (0.56) KCNA5POLBKMT2A
SCHEMBL29227214 0.77 PLA2G1B (0.60) PLA2G1BATG4BRAB9AKMT2A

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-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN SLC6A5 3549/4885KCNA5 2006/4885PLA2G1B 1407/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 SLC6A5 3939/4885KCNA5 2444/4885PLA2G1B 1374/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 SLC6A5 3939/4885KCNA5 2444/4885PLA2G1B 1374/4885

“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.