SCHEMBL6800946

SCHEMBL6800946

O=Cc1cn(Cc2ccccn2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
SMN1; SMN2 Q16637 9/20 0.57
HTT P42858 6/20 0.57
LMNA P02545 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.51
SLC22A12 Q96S37 1/20 0.50
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL12642965 0.86 CNR1 (0.56) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL8685682 0.83 SLC2A1 (0.52) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL28956658 0.81 HRH1 (0.42) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL17371736 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL17371735 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL10871748 0.79 SLC22A12 (0.50) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL10871752 0.79 SLC22A12 (0.50) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL28155884 0.79 SLC22A12 (0.60) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL31005244 0.77 SNCA (0.57) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL29377589 0.77 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTLMNATDP1

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 6 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-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 2521/4885HTT 3883/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ALDH1A1 700/4885SMN1; SMN2 2406/4885HTT 4127/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 737/4885SMN1; SMN2 2331/4885HTT 4083/4885

“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.