SCHEMBL17500271

SCHEMBL17500271

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
CYP19A1 P11511 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
TRPV1 Q8NER1 5/20 0.38
FAAH O00519 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD5 P21918 1/20 0.38
GPX4 P36969 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACE P12821 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL19168622 1.00 MAPT (0.39) MAPTLMNACYP19A1BAZ2BTRPV1
SCHEMBL19161127 1.00 MAPT (0.39) MAPTLMNACYP19A1BAZ2BTRPV1
SCHEMBL19167692 0.83 MAPT (0.41) MAPTLMNABAZ2BTDP1KMT2A
SCHEMBL12660672 0.80 KDM4E (0.46) MAPTLMNACYP19A1BAZ2BDRD5
SCHEMBL19161104 0.78 CYP19A1 (0.46) MAPTCYP19A1TRPV1ALDH1A1
SCHEMBL19168923 0.78 CYP19A1 (0.46) MAPTCYP19A1TRPV1ALDH1A1
SCHEMBL17500265 0.78 CYP19A1 (0.46) MAPTCYP19A1TRPV1ALDH1A1
SCHEMBL19169004 0.77 BAZ2B (0.52) MAPTLMNACYP19A1BAZ2BTRPV1
SCHEMBL19167946 0.75 GPX4 (0.42) MAPTLMNABAZ2BTRPV1KMT2A
SCHEMBL8250018 0.73 FABP5 (0.39) CYP19A1TRPV1FAAHKMT2AGPX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 EP disclosed
US-10106540-B2 HDAC6 inhibitors and their uses UNIVERSITÄT REGENSBURG (DE) 2018-10-23 US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
EP-3177621-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universität Regensburg (DE) 2017-06-14 EP disclosed
WO-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 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 (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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 MAPT 1414/4885LMNA 2596/4885CYP19A1 4582/4885
US-10106540-B2 HDAC6 inhibitors and their uses HDAC6, HDAC5, HDAC4 MAPT 1324/4885LMNA 2094/4885CYP19A1 4451/4885

“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.