SCHEMBL19167692

SCHEMBL19167692

CNC(=S)N1Cc2[nH]c3ccccc3c2C(C)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCHR1 Q99705 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
POLB P06746 1/20 0.38
GPX4 P36969 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
ALOX15 P16050 1/20 0.36
CHRNA7 P36544 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL19167946 0.86 GPX4 (0.42) MAPTGPX4ALDH1A1LMNAKDM4E
SCHEMBL19161127 0.83 MAPT (0.39) MAPTTDP1GPX4ALDH1A1LMNA
SCHEMBL19168622 0.83 MAPT (0.39) MAPTTDP1GPX4ALDH1A1LMNA
SCHEMBL17500271 0.83 MAPT (0.39) MAPTTDP1GPX4ALDH1A1LMNA
SCHEMBL19168546 0.79 MAPT (0.40) MAPTMCHR1SIGMAR1GPX4ALDH1A1
SCHEMBL19168827 0.79 GPX4 (0.42) MAPTMCHR1SIGMAR1GPX4ALDH1A1
SCHEMBL19168872 0.76 MAPT (0.42) MAPTMCHR1SIGMAR1GPX4ALDH1A1
SCHEMBL46621 0.76 TRPV1 (0.43) MAPTMCHR1GPX4ALDH1A1LMNA
SCHEMBL19168923 0.70 CYP19A1 (0.46) MAPTALDH1A1KDM4EALOX15
SCHEMBL19161104 0.70 CYP19A1 (0.46) MAPTALDH1A1KDM4EALOX15

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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 MAPT 1414/4885TDP1 2283/4885MCHR1 3990/4885

“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.