SCHEMBL4846601

SCHEMBL4846601

N=C(N)CCc1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.39
DPP4 P27487 4/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPK8 P45983 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
RIPK1 Q13546 1/20 0.36
IDO1 P14902 4/20 0.35
AGXT P21549 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
Hydrochloric Acid SCHEMBL4714015 0.98 MPO (0.38) MPODPP4CA3CA6CA5A
SCHEMBL2807231 0.85 IDO1 (0.47) MPOMAPK8IDO1AGXTSLC6A4
Hydrochloric Acid SCHEMBL4717980 0.84 IDO1 (0.49) MPOMAPK8IDO1AGXTSLC6A4
SCHEMBL31248033 0.82 MPO (0.37) MPODPP4IDO1AGXTSLC6A4
SCHEMBL7700255 0.77 CA3 (0.46) MPODPP4CA3CA6CA5A
Hydrochloric Acid SCHEMBL1624459 0.77 IDO1 (0.36) MPODPP4CA3CA6CA5A
SCHEMBL4841912 0.77 TAAR1 (0.57) MPOIDO1SLC6A4
SCHEMBL28038980 0.77 CES2 (0.45) MPODPP4CA3CA6CA5A
SCHEMBL7448203 0.76 MPO (0.57) MPODPP4MAPK8PSEN1PSEN2
SCHEMBL441642 0.76 TAAR1 (0.54) MPODPP4CA3CA6CA5A

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
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B MPO 302/4885DPP4 430/4885CA3 4765/4885

“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.