SCHEMBL16201680

SCHEMBL16201680

CCCc1cc2sc(C)c(C)c2n1Cc1ccc(Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TYMS P04818 1/20 0.33
ACHE P22303 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 4/20 0.32
SRC P12931 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL16201681 0.82 TYMS (0.34) GALR3NR2F2KDM4EALDH1A1TYMS
SCHEMBL16201677 0.77 TYMS (0.36) GALR3NR2F2KDM4EALDH1A1TYMS
SCHEMBL16201676 0.73 TP53 (0.33) GALR3NR2F2KDM4EALDH1A1TYMS
SCHEMBL16201685 0.65 HTT (0.52) GALR3NR2F2ALDH1A1MAPTLMNA
SCHEMBL8503679 0.62 PTGS2 (0.61) GALR3NR2F2PPARG
SCHEMBL4328774 0.61 AGTR1 (0.58)
SCHEMBL415439 0.60 POLB (0.62) LMNARAB9ASMN1; SMN2POLBCTDSP1
SCHEMBL6773382 0.59 POLB (0.60) LMNARAB9ASMN1; SMN2POLBCTDSP1
SCHEMBL29155828 0.59 POLB (0.60) LMNARAB9ASMN1; SMN2POLBCTDSP1
Ammonia Solution, Strong SCHEMBL27502612 0.59 POLB (0.60) LMNARAB9ASMN1; SMN2POLBCTDSP1

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 GALR3 3760/4885NR2F2 3082/4885KDM4E 1948/4885

“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.