SCHEMBL16201686

SCHEMBL16201686

CCOC(=O)c1cc2sc(C)c(C)c2n1Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
TSHR P16473 5/20 0.49
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
POLB P06746 3/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4086190 0.81 MAPT (0.56) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL4086613 0.78 MAPT (0.50) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL16201680 0.75 GALR3 (0.34) MAPTALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL16201677 0.75 TYMS (0.36) ALDH1A1POLBSMN1; SMN2LMNAKDM4E
SCHEMBL16201681 0.73 TYMS (0.34) ALDH1A1POLBSMN1; SMN2LMNAKDM4E
SCHEMBL16201676 0.71 TP53 (0.33) MAPTTSHRALDH1A1LMNAKDM4E
SCHEMBL23853369 0.71 NOD2 (0.44) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL18034524 0.71 ALDH1A1 (0.49) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL7516697 0.70 MAPT (0.52) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL4945148 0.70 NOD2 (0.72) MAPTTSHRALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 MAPT 221/4885TSHR 1973/4885ALDH1A1 609/4885

“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.