SCHEMBL16201677

SCHEMBL16201677

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.36
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP2A6 P11509 1/20 0.33
HTT P42858 2/20 0.32
HPGD P15428 2/20 0.32
ABL1 P00519 1/20 0.32
POLB P06746 1/20 0.32
RIN1 Q13671 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SRC P12931 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16201676 0.83 TP53 (0.33) TYMSGALR3NR2F2ALDH1A1KDM4E
SCHEMBL16201681 0.82 TYMS (0.34) TYMSGALR3NR2F2ALDH1A1KDM4E
SCHEMBL12572458 0.77 PKM (0.37) ALDH1A1KDM4ESRCTP53
SCHEMBL16201680 0.77 GALR3 (0.34) TYMSGALR3NR2F2ALDH1A1KDM4E
SCHEMBL31591021 0.70 ALDH1A1 (0.44) TYMSGALR3NR2F2ALDH1A1KDM4E
SCHEMBL7653499 0.67 GALR3 (0.44) TYMSGALR3NR2F2ALDH1A1LMNA
SCHEMBL16201685 0.65 HTT (0.52) GALR3NR2F2ALDH1A1LMNAHTT
SCHEMBL28477450 0.60 ALDH1A1 (0.49) ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL31590917 0.60 PKM (0.34) GALR3NR2F2ALDH1A1KDM4ELMNA
SCHEMBL4776075 0.60 ATM (0.48) TYMSGALR3NR2F2ALDH1A1LMNA

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 2242/4885GALR3 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.