SCHEMBL5649003

SCHEMBL5649003

COC(=O)Cc1c(C)ccn(NCCc2cc(Cl)ccc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 3/20 0.36
P2RX7 Q99572 1/20 0.35
CNR2 P34972 1/20 0.34
PTGS2 P35354 1/20 0.34
AKR1C3 P42330 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
LPAR1 Q92633 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5647154 0.83 F2 (0.49) F2GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL5650269 0.81 F2 (0.59) F2GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL5652515 0.80 F2 (0.59) F2GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL5650607 0.78 F2 (0.48) F2P2RX7
SCHEMBL5649641 0.77 F2 (0.58) F2GAAALDH1A1MEN1MAPT
SCHEMBL5649670 0.74 P2RX7 (0.48) F2P2RX7
SCHEMBL5651878 0.73 KDM4E (0.45) F2ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL5652019 0.73 P2RX7 (0.45) F2P2RX7PTGS2
SCHEMBL2917379 0.72 HTT (0.44) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL5968685 0.72 F2 (0.60) F2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT F2 2/4885GAA 739/4885ALDH1A1 1813/4885

“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.