SCHEMBL6312362

SCHEMBL6312362

COC(=O)c1cccc([N+](=O)[O-])c1-c1cc2c(cc1OC)CCC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
G6PD P11413 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL6690612 0.80 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AHTTMAPT
SCHEMBL14933431 0.78 TSHR (0.56) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL21468508 0.73 SIRT6 (0.50) ALDH1A1NPC1RAB9ASIRT6MAPT
SCHEMBL29292723 0.72 MAPT (0.49) ALDH1A1NPC1RAB9AHTTMAPT
SCHEMBL16719902 0.72 TSHR (0.53) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL12361790 0.71 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AHTTMAPT
SCHEMBL25624261 0.71 SIRT6 (0.53) ALDH1A1NPC1RAB9AHTTSIRT6
SCHEMBL6639522 0.70 PDK2 (0.48) ALDH1A1HTTMAPTMAPK1KDM4E
SCHEMBL1126945 0.70 TSHR (0.53) ALDH1A1HTTMAPTMAPK1KDM4E
SCHEMBL6803090 0.70 TSHR (0.50) ALDH1A1NPC1RAB9AHTTMAPT

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-6872743-B2 sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2005-03-29 US disclosed
US-20040063941-A1 Novel spla2 inhibitors BEIGHT DOUGLAS WADE (US) 2004-04-01 US disclosed
EP-1345898-A2 TERACYCLIC CARBAZOLE DERIVATES AND THEIR USE AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050034-A2 TETRACYCLIC CARBAZOLE DERIVATES AND THEIR USE 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-20040063941-A1 Novel spla2 inhibitors PLA2G12A, PLAAT2, SPINT2 ALDH1A1 3948/4885NPC1 3001/4885RAB9A 4024/4885

“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.