SCHEMBL6281901

SCHEMBL6281901

COc1cc(NC(=O)C(C)(C)C)cc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
ANO1 Q5XXA6 1/20 0.46
ANO2 Q9NQ90 1/20 0.46
MAPK14 Q16539 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP3A4 P08684 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
SCHEMBL6055173 0.80 ATM (0.63) IDO1TDO2KDM4ELMNAKMT2A
SCHEMBL9185732 0.79 ALDH1A1 (0.52) KDM4ELMNAANO1ANO2L3MBTL1
SCHEMBL28037651 0.78 MEN1 (0.47) KDM4ELMNAL3MBTL1ALDH1A1NPSR1
SCHEMBL2179155 0.78 KDM4E (0.51) KDM4EANO1ANO2L3MBTL1ALDH1A1
SCHEMBL7738208 0.78 TAAR1 (0.48) IDO1KDM4ELMNAANO1ANO2
SCHEMBL8102792 0.75 CYP1A2 (0.73) KDM4ELMNAL3MBTL1ALDH1A1CYP1A2
SCHEMBL10889471 0.75 SMN1; SMN2 (0.64) KDM4ELMNAANO1ANO2L3MBTL1
SCHEMBL8311153 0.75 NQO1 (0.47) KDM4ELMNAANO1ANO2ALDH1A1
SCHEMBL1176796 0.74 ESRRA (0.51) KDM4ELMNAL3MBTL1ALDH1A1NPSR1
SCHEMBL14544643 0.74 MAPT (0.48) KDM4ELMNAL3MBTL1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930123-B2 sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2005-08-16 US disclosed
US-20040059130-A1 Spla2 inhibitors BEIGHT DOUGLAS WADE (US) 2004-03-25 US disclosed
EP-1349832-A2 SUBSTITUTED BENZOINDOLES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-10-08 EP disclosed
WO-2002050028-A2 SUBSTITUTED BENZOINDOLES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-06-27 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-20040059130-A1 Spla2 inhibitors F2RL1, SPINT2, PLAAT2 IDO1 2830/4885TDO2 1780/4885KDM4E 4225/4885

“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.