SCHEMBL2707324

SCHEMBL2707324

COC(=O)c1ccc2sc(COCc3ccccc3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.76
TRPV1 Q8NER1 2/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 3/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.44
CSNK1D P48730 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL202825 0.91 HDAC6 (0.62) HDAC6KMT2ARAB9ANPC1MAPT
SCHEMBL19029294 0.86 HDAC6 (1.00) HDAC6TRPV1KMT2AHTT
SCHEMBL2756801 0.81 HDAC6 (0.51) HDAC6TRPV1KMT2ARAB9ANPC1
SCHEMBL2967925 0.81 CYP1A2 (0.61) HDAC6TRPV1RAB9ANPC1MAPT
SCHEMBL12432945 0.80 HDAC6 (0.53) HDAC6TRPV1KMT2ARAB9ANPC1
SCHEMBL13447882 0.80 HDAC6 (0.53) HDAC6TRPV1KMT2ARAB9ANPC1
SCHEMBL2707360 0.80 HDAC6 (0.68) HDAC6TRPV1
SCHEMBL2705051 0.79 HDAC6 (0.52) HDAC6TRPV1KMT2ARAB9ANPC1
SCHEMBL31025226 0.78 RAB9A (0.65) HDAC6KMT2ARAB9ANPC1MAPT
SCHEMBL25731659 0.78 HDAC6 (0.48) HDAC6KMT2ARAB9ANPC1MAPT

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
CN-108602812-B Bicyclic hydroxamic acids useful as inhibitors of histone deacetylase activity in mammals 坎塞拉有限公司 2021-11-02 CN disclosed
EP-3394052-B1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2021-07-28 EP disclosed
US-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity KANCERA AB (SE) 2020-05-19 US disclosed
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2019-09-19 US disclosed
EP-3394052-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-10-31 EP disclosed
WO-2017108282-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2017-06-29 WO disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 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 (6 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 HDAC6 2661/4885TRPV1 3895/4885KMT2A 380/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 HDAC6 2483/4885TRPV1 3827/4885KMT2A 1011/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 HDAC6 2565/4885TRPV1 3816/4885KMT2A 415/4885
US-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity HDAC1, HDAC11, HDAC10 HDAC6 10/4885TRPV1 4645/4885KMT2A 91/4885
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC1, HDAC11, HDAC10 HDAC6 10/4885TRPV1 4645/4885KMT2A 91/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 HDAC6 2483/4885TRPV1 3827/4885KMT2A 1011/4885

“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.