SCHEMBL7429634

SCHEMBL7429634

CCOC(=O)c1cc2ccccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
NOD2 Q9HC29 6/20 0.60
NOD1 Q9Y239 6/20 0.60
KDM4E B2RXH2 3/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
F10 P00742 2/20 0.54
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL19410240 0.90 KMT2A (0.52) MEN1KMT2ANOD2NOD1KDM4E
SCHEMBL18202169 0.89 MEN1 (0.74) MEN1KMT2ANOD2NOD1KDM4E
SCHEMBL3960725 0.87 KMT2A (0.54) MEN1KMT2ANOD2NOD1KDM4E
SCHEMBL10629278 0.86 KMT2A (0.71) MEN1KMT2ANOD2NOD1KDM4E
SCHEMBL18733432 0.86 MEN1 (0.49) MEN1KMT2ANOD2NOD1KDM4E
SCHEMBL3958982 0.85 CCR2 (0.56) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL16201674 0.83 MEN1 (0.74) MEN1KMT2ANOD2NOD1KDM4E
SCHEMBL7425465 0.83 MEN1 (0.79) MEN1KMT2ANOD2NOD1KDM4E
SCHEMBL18733288 0.83 LTB4R (0.55) MEN1KMT2ANOD2NOD1F10
SCHEMBL7423741 0.82 KMT2A (0.73) MEN1KMT2ANOD2NOD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785720-B1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS NANJING ALLGEN PHARMA CO LTD (CN) 2017-08-09 EP disclosed
EP-2785720-B1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS NANJING ALLGEN PHARMA CO LTD (CN) 2017-08-09 EP disclosed
CN-103974956-B As HDAC6 inhibitor and the heterocyclic amide being used as antitumor agent 南京奥昭生物科技有限公司 2016-07-06 CN disclosed
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-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-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
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
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
EP-2785720-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS Beta Pharma Canada Inc. (CA) 2014-10-08 EP disclosed
WO-2013078544-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2013-06-06 WO disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 MEN1 2230/4885KMT2A 369/4885NOD2 1663/4885

“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.