SCHEMBL9449685

SCHEMBL9449685

N#CC(Cc1cccnc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 1/20 0.51
CYP19A1 P11511 1/20 0.47
CYP3A4 P08684 5/20 0.44
CYP2D6 P10635 4/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 2/20 0.43
NR1D1 P20393 1/20 0.43
NR1H3 Q13133 1/20 0.43
CCR1 P32246 1/20 0.42
FDPS P14324 1/20 0.41

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
SCHEMBL128717 0.86 KIF20A (0.58) KIF20ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL10806187 0.85 CYP19A1 (0.51) KIF20ACYP19A1CYP3A4CYP2D6ESR1
SCHEMBL9451727 0.85 KIF20A (0.51) KIF20ACYP19A1CYP3A4CYP2D6SLC6A2
SCHEMBL16432269 0.85 KIF20A (0.51) KIF20ACYP19A1CYP3A4CYP2D6SLC6A2
SCHEMBL19069229 0.85 KIF20A (0.51) KIF20ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL17455083 0.85 CYP3A4 (0.60) KIF20ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL9696882 0.82 KIF20A (0.48) KIF20ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL9312100 0.82 KIF20A (0.48) KIF20ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5054960 0.81 ESR2 (0.56) CYP3A4SLC6A2SLC6A4SLC6A3ESR1
SCHEMBL10372046 0.80 CYP3A4 (0.43) KIF20ACYP19A1CYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171442-A1 PROCESS FOR THE PREPARATION OF BACLOFEN AND ITS INTERMEDIATE PIRAMAL PHARMA LIMITED (IN) 2021-06-10 US disclosed
US-20210171442-A1 PROCESS FOR THE PREPARATION OF BACLOFEN AND ITS INTERMEDIATE PIRAMAL PHARMA LIMITED (IN) 2021-06-10 US disclosed
US-20180208544-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BACLOFEN AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2018-07-26 US disclosed
US-20180208544-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BACLOFEN AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2018-07-26 US disclosed
US-20180208544-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BACLOFEN AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2018-07-26 US disclosed
EP-3322691-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BACLOFEN AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2018-05-23 EP disclosed
WO-2017009753-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BACLOFEN AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2017-01-19 WO disclosed
US-5240925-A FUNGICIDAL 2-ARYL-2-CYANO-2-(HETEROCYCLYLALKYL)ETHYL-1,2,4-TRIAZOLES ROHM AND HAAS COMPANY (US) 1993-08-31 US disclosed
EP-0529973-A1 Fungicidal 2-aryl-2-cyano-2-(heterocyclylalkyl)ethyl-1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1993-03-03 EP disclosed
EP-0214793-B1 (2-CYANO-2-ARYLETHYL)PYRIDINES, THEIR PREPARATION AND USE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1990-06-13 EP disclosed
US-4933339-A PHYTOPATHOGENS ROHM AND HAAS COMPANY (US) 1990-06-12 US disclosed
EP-0214793-A1 (2-Cyano-2-arylethyl)pyridines, their preparation and use as fungicides ROHM AND HAAS COMPANY (US) 1987-03-18 EP 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-20180208544-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BACLOFEN AND ITS INTERMEDIATE SLC6A13, SLC6A1, SLC6A11 KIF20A 2226/4885CYP19A1 1868/4885CYP3A4 174/4885
US-20210171442-A1 PROCESS FOR THE PREPARATION OF BACLOFEN AND ITS INTERMEDIATE SLC6A13, GRHPR, SLC6A1 KIF20A 2664/4885CYP19A1 1773/4885CYP3A4 127/4885

“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.