SCHEMBL4072497

SCHEMBL4072497

CC(C)(C)N(C(=O)O)c1cnccc1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.34
KDM6B O15054 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4A O75164 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC22A12 Q96S37 8/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
LMNA P02545 1/20 0.32
ERN1 O75460 3/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
SLC22A11 Q9NSA0 1/20 0.30

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
Acetic Acid SCHEMBL16021009 0.96 KDM4C (0.32) KDM4CKDM6BKDM4EALDH1A1MEN1
SCHEMBL4065895 0.88 KDM4C (0.34) KDM4CKDM6BKDM4EALDH1A1MEN1
SCHEMBL565646 0.81 TDP1 (0.43) KDM4CKDM6BKDM4EALDH1A1MEN1
SCHEMBL1427899 0.78 KMT2A (0.40) ALDH1A1MEN1THRBKMT2ATDP1
SCHEMBL1041865 0.76 TDP1 (0.39) KDM4CKDM6BKDM4EALDH1A1MEN1
SCHEMBL17541466 0.76 SLC22A12 (0.32) KDM4CKDM6BSLC22A12LMNAERN1
SCHEMBL1501841 0.75 SLC22A12 (0.31) SLC22A12CCNCCDK8ERN1SLC22A6
SCHEMBL25427837 0.74 SMN1; SMN2 (0.39) KDM4CKDM4EALDH1A1MEN1KMT2A
SCHEMBL1352030 0.74 GPBAR1 (0.30) GPBAR1
SCHEMBL20614743 0.73 CHRM5 (0.37) KDM4EALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10907197-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-02-02 US disclosed
EP-3190888-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2020-06-10 EP disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
EP-1751155-B1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER HEALTHCARE AG (DE) 2009-01-07 EP disclosed
EP-1751155-A1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION Bayer HealthCare AG (DE) 2007-02-14 EP disclosed
WO-2005113552-A1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER HEALTHCARE AG (DE) 2005-12-01 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 (3 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 KDM4C 523/4885KDM6B 591/4885KDM4E 201/4885
US-10907197-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 KDM4C 4858/4885KDM6B 4714/4885KDM4E 4674/4885
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 KDM4C 4858/4885KDM6B 4714/4885KDM4E 4674/4885

“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.