SCHEMBL4813469

SCHEMBL4813469

C#CCNC(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HPGD P15428 3/20 0.54
GAA P10253 2/20 0.52
GPR139 Q6DWJ6 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL28527018 0.82 HDAC8 (0.59) HDAC6GPR139MEN1KMT2ANPC1
SCHEMBL4820100 0.82 GRM5 (0.58) HPGDGPR139MEN1KMT2AALDH1A1
SCHEMBL29650963 0.82 HDAC8 (0.59) HDAC6GPR139MEN1KMT2ANPC1
SCHEMBL7217481 0.81 HDAC1 (0.62) HDAC1HDAC6HPGDGAAGPR139
SCHEMBL31475190 0.81 HDAC1 (0.62) HDAC1HDAC6HPGDGAAGPR139
SCHEMBL31116810 0.81 KDM4E (0.54) GAAKMT2AALDH1A1NPC1RAB9A
SCHEMBL27136913 0.81 L3MBTL1 (0.67) HPGDGAAMEN1KMT2AALDH1A1
SCHEMBL3348765 0.81 CA12 (0.53) GAAKMT2ACA12CA1CA2
SCHEMBL31607772 0.81 L3MBTL1 (0.67) HPGDGAAMEN1KMT2AALDH1A1
SCHEMBL2430560 0.80 POLB (0.68) HDAC1GAAGPR139MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911645-B1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIV LILLE (FR) 2022-12-07 EP disclosed
US-20220073475-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIVERSITÉ PARIS CITÉ (FR) 2022-03-10 US disclosed
EP-3911645-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE Université de Lille (FR) 2021-11-24 EP disclosed
WO-2020148403-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIVERSITE DE LILLE (FR) 2020-07-23 WO disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
CN-101535276-A 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC (US) 2009-09-16 CN disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20220073475-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE HDAC5, HDAC6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC1 6/4885HDAC6 2/4885HPGD 125/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 HDAC1 644/4885HDAC6 649/4885HPGD 2092/4885

“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.