SCHEMBL19620153

SCHEMBL19620153

CS(C)(C)C#Cc1ccc(Cl)cc1-c1cc[nH]c(=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
NOTUM Q6P988 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PPOX P50336 1/20 0.35
S100A4 P26447 2/20 0.34
ALDH2 P05091 2/20 0.34
AOC3 Q16853 2/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F11 P03951 4/20 0.32
KLKB1 P03952 4/20 0.32
F7 P08709 1/20 0.32
LTA4H P09960 1/20 0.32
F3 P13726 1/20 0.32
AHR P35869 1/20 0.32
NR4A2 P43354 1/20 0.32
ALK Q9UM73 1/20 0.31
BRAF P15056 1/20 0.31
MAPK3 P27361 1/20 0.31

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
SCHEMBL16138059 0.83 MAP4K4 (0.45) MAP4K4NOTUMPDE3BPDE3APPOX
SCHEMBL3475271 0.73 AHR (0.50) MAP4K4NOTUMPDE3BPDE3APPOX
SCHEMBL19620183 0.70 CNR1 (0.41) PDE3BPDE3A
SCHEMBL3477513 0.70 MAP4K4 (0.45) MAP4K4NOTUMPDE3BPDE3A
SCHEMBL28203407 0.69 MAP4K4 (0.44) MAP4K4NOTUMPDE3BPDE3APPOX
SCHEMBL3476831 0.67 NOTUM (0.64) MAP4K4NOTUMALDH2AOC3KCNH2
SCHEMBL19620182 0.66 TSHR (0.35) MAPK1
SCHEMBL18403037 0.66 CYP3A4 (0.44) ALDH1A1NR4A2MAPK1
SCHEMBL20078786 0.66 PTGDR2 (0.37) ALDH1A1
SCHEMBL608199 0.64

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-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-22 US disclosed
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-29 US disclosed
US-9822102-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-21 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 (2 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-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders OGFOD1, VASP, PNPO MAP4K4 1030/4885NOTUM 1113/4885PDE3B 135/4885
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS OGFOD1, PNPO, VASP MAP4K4 1055/4885NOTUM 813/4885PDE3B 88/4885

“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.