SCHEMBL19253754

SCHEMBL19253754

NCCCCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.67
HDAC1 Q13547 6/20 0.67
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.52
GSK3B P49841 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B3 P37058 5/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL6824562 0.98 HDAC1 (0.64) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL6823656 0.92 HDAC1 (0.61) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL133319 0.88 HDAC1 (0.75) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL7741993 0.85 HDAC8 (0.71) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL20799581 0.84 GSK3B (0.59) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL3381070 0.83 HDAC8 (0.69) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL7828372 0.83 HDAC8 (0.69) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL7789360 0.81 HSD17B3 (0.71) HDAC8HDAC1HDAC3HDAC2HSD17B3
SCHEMBL7788804 0.81 HSD17B3 (0.71) HDAC8HDAC1HDAC3HDAC2HSD17B3
SCHEMBL7789291 0.81 HSD17B3 (0.71) HDAC8HDAC1HDAC3HDAC2HSD17B3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-11 US disclosed
EP-3209296-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-08-30 EP disclosed
US-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 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 (2 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-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 HDAC8 2447/4885HDAC1 1131/4885HDAC3 1800/4885
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors JAK1, JAK2, JAK3 HDAC8 2447/4885HDAC1 1131/4885HDAC3 1800/4885

“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.