SCHEMBL12295206

SCHEMBL12295206

CCOC(=O)c1c(CC)nc2ccc(Cl)cn12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.67
CYP2C19 P33261 4/20 0.67
CYP1A2 P05177 2/20 0.67
ALDH1A1 P00352 4/20 0.52
GAA P10253 4/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 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
SCHEMBL22279584 0.86 RAB9A (0.65) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL23099627 0.84 NPC1 (0.50) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL14770310 0.83 ALDH1A1 (0.53) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL23109304 0.83 ALDH1A1 (0.53) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL23197396 0.83 RAB9A (0.49) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL23099502 0.83 KDM4E (0.49) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL21527333 0.82 ALDH1A1 (0.56) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL12295241 0.82 CYP2C9 (0.61) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL23099653 0.81 KDM4E (0.49) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL23099634 0.81 RAB9A (0.47) CYP2C9CYP2C19CYP1A2ALDH1A1GAA

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-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 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 (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-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP2C19 4181/4885CYP1A2 3954/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 CYP2C9 1210/4885CYP2C19 2085/4885CYP1A2 702/4885

“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.