SCHEMBL19620182

SCHEMBL19620182

CS(C)(C)C#Cc1ccc(Cl)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
PYCR1 P32322 1/20 0.34
MAPK1 P28482 1/20 0.32
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL21698617 0.79 ACLY (0.39) TSHRHTTLMNAHPGDPYCR1
SCHEMBL18403037 0.78 CYP3A4 (0.44) TSHRHTTLMNAHPGDMAPK1
SCHEMBL20078786 0.78 PTGDR2 (0.37)
SCHEMBL18532639 0.78
SCHEMBL28715097 0.75 PYCR1 (0.33) TSHRHTTPYCR1
SCHEMBL19557703 0.74 CYP3A4 (0.43) TSHRHPGDMAPK1
SCHEMBL16114956 0.74 PYCR1 (0.34) PYCR1
SCHEMBL22866765 0.72 PYCR1 (0.35) PYCR1
SCHEMBL17577280 0.71 TRPV4 (0.41) MAPK1
SCHEMBL20360102 0.70 PYCR1 (0.37) HTTLMNAHPGDPYCR1FLT1

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 TSHR 3903/4885HTT 1600/4885LMNA 1354/4885
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS OGFOD1, PNPO, VASP TSHR 3756/4885HTT 1717/4885LMNA 1256/4885

“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.