SCHEMBL6802017

SCHEMBL6802017

O=[C]c1cn(Cc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
APAF1 O14727 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MCL1 Q07820 4/20 0.46
BAD Q92934 4/20 0.46
TSHR P16473 4/20 0.46

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
SCHEMBL6802019 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7123036 0.74 NR4A2 (0.50) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8758329 0.73 HTR2A (0.53) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL6354855 0.73 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6800938 0.72 SLC22A12 (0.50) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL21999706 0.72 LMNA (0.69) MCL1BADLMNA
SCHEMBL27728385 0.72 RAB9A (0.51) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL17454529 0.71 CDK4 (0.55) ALDH1A1KMT2ATSHRHTTPOLB
SCHEMBL8986571 0.70 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8757527 0.70 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-1091760-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-18 EP disclosed
WO-2000000220-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-06 WO disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 800/4885SMN1; SMN2 2521/4885MAPT 4760/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ALDH1A1 700/4885SMN1; SMN2 2406/4885MAPT 4755/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 737/4885SMN1; SMN2 2331/4885MAPT 4746/4885

“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.