SCHEMBL3704673

SCHEMBL3704673

O=C(Nc1ccccc1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.63
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
NCOR2 Q9Y618 1/20 0.63
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SRC P12931 2/20 0.53
EGFR P00533 1/20 0.53
TOP2A P11388 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL11789895 0.81 HDAC6 (0.60) HDAC6HDAC3HDAC4HDAC7HDAC8
SCHEMBL31653962 0.80 MEN1 (0.47) HDAC6HDAC3HDAC4HDAC7HDAC8
SCHEMBL10153609 0.80 MEN1 (0.47) HDAC6HDAC3HDAC4HDAC7HDAC8
SCHEMBL8280317 0.78 MEN1 (0.59) HDAC6HDAC3HDAC4HDAC7HDAC8
SCHEMBL4532733 0.78 HDAC4 (1.00) HDAC6HDAC3HDAC4HDAC7HDAC8
SCHEMBL11122542 0.76 HDAC4 (0.68) HDAC6HDAC3HDAC4HDAC7HDAC8
SCHEMBL27614723 0.76 HDAC4 (0.68) HDAC6HDAC3HDAC4HDAC7HDAC8
SCHEMBL22461359 0.76 HDAC4 (0.61) HDAC6HDAC3HDAC4HDAC7HDAC8
SCHEMBL40500 0.74 HDAC3 (0.59) HDAC6HDAC3HDAC4HDAC7HDAC8
SCHEMBL30001332 0.74 HDAC3 (0.59) HDAC6HDAC3HDAC4HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed
US-9017726-B2 Biodegradable and thermosensitive poly(organophosphazene)-superparamagnetic nanoparticle complex, preparation method and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-28 US disclosed
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-01-30 US disclosed
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF Korean Institute of Science and Technology of Seoul, Republic of Korea 2012-05-17 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-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF PHOSPHO1, HSPA2, FEM1B HDAC6 4438/4885HDAC3 2646/4885HDAC4 2910/4885
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLCB3, INPP5D HDAC6 2719/4885HDAC3 3361/4885HDAC4 2099/4885

“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.