SCHEMBL9610129

SCHEMBL9610129

Cc1ccc(-n2nccc2OCC(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 12/20 0.45
KDM5B Q9UGL1 12/20 0.45
KDM4C Q9H3R0 12/20 0.45
KDM2B Q8NHM5 6/20 0.45
KDM4A O75164 4/20 0.45
KDM4E B2RXH2 2/20 0.35
KDM6B O15054 1/20 0.35
KDM4B O94953 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
TP53 P04637 1/20 0.35
NPBWR1 P48145 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9610097 0.79 PPOX (0.41) KDM5AKDM5BKDM4CKDM2BKDM4A
SCHEMBL859530 0.70 PPOX (0.39) ALDH1A1HPGD
SCHEMBL13064242 0.68 ALDH1A1 (0.46) KDM5AKDM5BKDM4CKDM2BKDM4A
SCHEMBL9610084 0.68 BCHE (0.37) KDM5AKDM5BKDM4CKDM2BKDM4A
SCHEMBL14220714 0.67 NPC1 (0.52) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9610123 0.66 KDM4A (0.40) KDM5AKDM5BKDM4CKDM2BKDM4A
SCHEMBL12541603 0.66 MEN1 (0.52) KDM4ETP53ALDH1A1POLBHPGD
SCHEMBL9610096 0.65 BCHE (0.37) KDM5AKDM5BKDM4CKDM2BKDM4A
SCHEMBL6654340 0.65 LMNA (0.58) KDM4EALDH1A1HPGD
SCHEMBL2366297 0.65 GPR119 (0.52) ALDH1A1POLB

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
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT KDM5A 2705/4885KDM5B 2946/4885KDM4C 2765/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E KDM5A 2000/4885KDM5B 2104/4885KDM4C 2308/4885

“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.