SCHEMBL14934236

SCHEMBL14934236

CCCCc1cc(C#N)c(NC=O)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 3/20 0.35
TSHR P16473 3/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
CASP7 P55210 1/20 0.35
KDM4E B2RXH2 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL1975118 0.91 HSD17B10 (0.38) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3871975 0.74 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL11811716 0.73 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1976151 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3871969 0.72 TSHR (0.38) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3872578 0.72 TSHR (0.38) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3870859 0.72 TSHR (0.38) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL23827482 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL12963490 0.71 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL10273104 0.66 ALDH1A1 (0.31) ALDH1A1MEN1KMT2AMAPTPOLB

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-9447082-B2 Optically active fluconazole analogues containing thiophenes as antifungal agents FDC LIMITED (IN) 2016-09-20 US disclosed
US-20140249194-A1 OPTICALLY ACTIVE FLUCONAZOLE ANALOGUES CONTAINING THIOPHENES AS ANTIFUNGAL AGENTS FDC LIMITED (IN) 2014-09-04 US disclosed
WO-2013065065-A1 OPTICALLY ACTIVE FLUCONAZOLE ANALOGUES CONTAINING THIOPHENES AS ANTIFUNGAL AGENTS FDC LIMITED (IN) 2013-05-10 WO 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-20140249194-A1 OPTICALLY ACTIVE FLUCONAZOLE ANALOGUES CONTAINING THIOPHENES AS ANTIFUNGAL AGENTS CYP3A4, CYP4B1, CBR1 ALDH1A1 1476/4885MEN1 1090/4885KMT2A 2444/4885

“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.