SCHEMBL16201676

SCHEMBL16201676

CO/C=C/c1cc2sc(C)c(C)c2n1Cc1ccc(Br)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
PTGS2 P35354 2/20 0.31
TYMS P04818 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL16201677 0.83 TYMS (0.36) TP53GALR3NR2F2PTGS2TYMS
SCHEMBL16201681 0.74 TYMS (0.34) TP53GALR3NR2F2PTGS2TYMS
SCHEMBL16201680 0.73 GALR3 (0.34) TP53GALR3NR2F2TYMSLMNA
SCHEMBL16201685 0.62 HTT (0.52) GALR3NR2F2LMNATSHRRAB9A
SCHEMBL9268881 0.57 TUBB4A (0.50) TP53LMNAMEN1TSHRRAB9A
SCHEMBL7132075 0.57 TUBB4A (0.50) TP53LMNAMEN1TSHRRAB9A
SCHEMBL15870434 0.56 IDO1 (0.43) TP53MEN1TSHRRAB9AKMT2A
SCHEMBL6648744 0.56 PTGS2 (0.53) PTGS2TSHRKMT2AKDM4EALDH1A1
SCHEMBL31591021 0.56 ALDH1A1 (0.44) GALR3NR2F2TYMSLMNAMEN1
SCHEMBL18491559 0.55 LTA4H (0.50) MEN1KMT2AKDM4EALDH1A1

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 TP53 975/4885GALR3 3760/4885NR2F2 3082/4885

“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.