SCHEMBL16201681

SCHEMBL16201681

Cc1sc2cc(CC=O)n(Cc3ccc(Br)cc3)c2c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 2/20 0.31
ABL1 P00519 1/20 0.31
POLB P06746 1/20 0.31
RIN1 Q13671 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SRC P12931 1/20 0.30
PTGS2 P35354 1/20 0.30
TP53 P04637 2/20 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 0.82 TYMS (0.36) TYMSLMNAHTTRECQLRAB9A
SCHEMBL16201680 0.82 GALR3 (0.34) TYMSLMNAHTTRECQLRAB9A
SCHEMBL16201676 0.74 TP53 (0.33) TYMSLMNAHTTRAB9AGALR3
SCHEMBL16201685 0.63 HTT (0.52) LMNAHTTRECQLRAB9ASMN1; SMN2
SCHEMBL20103 0.63 CYP2A6 (0.44) LMNAMEN1KMT2A
SCHEMBL12572458 0.61 PKM (0.37) KDM4EALDH1A1SRCTP53
SCHEMBL3928426 0.61 CYP2A6 (0.41) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL31591021 0.60 ALDH1A1 (0.44) TYMSLMNAHTTRECQLRAB9A
SCHEMBL9680305 0.58 ALDH1A1 (0.44) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL7653499 0.57 GALR3 (0.44) TYMSLMNARAB9AGALR3NR2F2

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 TYMS 2242/4885LMNA 3657/4885HTT 112/4885

“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.