SCHEMBL16201678

SCHEMBL16201678

COC(=O)c1ccc(Sc2c3n(c4ccccc24)CCCC3=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.46
EIF4H Q15056 1/20 0.46
SRC P12931 3/20 0.42
EGFR P00533 2/20 0.42
FGFR1 P11362 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 3/20 0.37
CREBBP Q92793 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL16201683 0.86 HDAC6 (0.44)
SCHEMBL14994765 0.83 PABPC1 (0.49) PABPC1EIF4HSRCEGFRFGFR1
SCHEMBL14994224 0.77 PABPC1 (0.49) PABPC1EIF4HSRCEGFRFGFR1
SCHEMBL9657474 0.75 KDM4E (0.46) PABPC1EIF4HMEN1KMT2APRNP
SCHEMBL14994233 0.70 HDAC1 (0.41) PABPC1EIF4HPRNPRXFP1
SCHEMBL31486799 0.67 KMT2A (0.61) SRCEGFRMEN1KMT2APOLB
SCHEMBL5887658 0.66 TSHR (0.67) PABPC1EIF4HMEN1KMT2ATUBB4A
SCHEMBL16201684 0.66 CDK5 (0.45) PABPC1MEN1KMT2ATP53CREBBP
SCHEMBL6575703 0.65 CA1 (0.61) MEN1KMT2ATP53MAPT
SCHEMBL28840719 0.65 TERT (0.47) EGFRTP53CREBBPMTNR1AMTNR1B

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 PABPC1 3869/4885EIF4H 2579/4885SRC 1959/4885

“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.