SCHEMBL2530652

SCHEMBL2530652

COc1ccc(C(O)C(N)c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.50
CYP1A2 P05177 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP2C9 P11712 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AOC3 Q16853 2/20 0.42
LMNA P02545 2/20 0.42
CYP19A1 P11511 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL30620666 0.89 AOC3 (0.50) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL25554 0.89 AOC3 (0.50) CYP1A2CYP2D6CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL30703159 0.88 AOC3 (0.49) CYP1A2CYP2D6CYP2C19CYP3A4MEN1
SCHEMBL6442693 0.83 ACP3 (0.53) KDM4EAOC3LMNAADRA2ASLC10A1
SCHEMBL23882639 0.80 CYP17A1 (0.57) CYP17A1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL27449121 0.80 CYP17A1 (0.57) CYP17A1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL23882638 0.80 CYP17A1 (0.57) CYP17A1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL10460417 0.76 CYP17A1 (0.61) CYP17A1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL1900477 0.75 CA1 (0.58) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL1305495 0.75 CA1 (0.58) CYP1A2CYP2D6CYP2C19KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841747-B1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2012-09-05 EP disclosed
US-8039634-B2 Oxazole hydroxamic acid derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-10-18 US disclosed
US-8039634-B2 Oxazole hydroxamic acid derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-10-18 US disclosed
US-8039634-B2 Oxazole hydroxamic acid derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-10-18 US disclosed
US-20090209596-A1 Oxazole Hydroxamic Acid Derivatives and Use Thereof SK HOLDINGS CO., LTD 2009-08-20 US disclosed
US-20090209596-A1 Oxazole Hydroxamic Acid Derivatives and Use Thereof SK HOLDINGS CO., LTD 2009-08-20 US disclosed
US-20090209596-A1 Oxazole Hydroxamic Acid Derivatives and Use Thereof SK HOLDINGS CO., LTD 2009-08-20 US disclosed
EP-1841747-A1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK Corporation (KR) 2007-10-10 EP disclosed
WO-2006075888-A1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK CORPORATION (KR) 2006-07-20 WO disclosed
WO-2006075888-A1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK CORPORATION (KR) 2006-07-20 WO 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-20090209596-A1 Oxazole Hydroxamic Acid Derivatives and Use Thereof HDAC1, HDAC5, HDAC7 CYP17A1 515/4885CYP1A2 3141/4885CYP2D6 3994/4885

“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.