SCHEMBL6802019

SCHEMBL6802019

O=Cc1cn(Cc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.70
SMN1; SMN2 Q16637 9/20 0.70
HTT P42858 6/20 0.70
LMNA P02545 5/20 0.64
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PTPN1 P18031 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
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

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
SCHEMBL28467331 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL28527982 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL4357272 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL6705979 0.82 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL30487286 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL30487282 0.82 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL8986571 0.81 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL8757527 0.81 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL8690882 0.79 TDP1 (0.65) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL8813099 0.79 ALDH1A1 (0.69) 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 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-0623138-B1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNION PHARMA SCIENT APPL (FR) 1997-05-21 EP disclosed
US-5480983-A ANALGESICS, HYPOTENSIVE AGENTS LABORATOIRES UPSA (FR) 1996-01-02 US disclosed
WO-1993014102-A1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRES UPSA (FR) 1993-07-22 WO disclosed
US-5229505-A CNS and cardiovascular effects LABORATOIRES UPSA (FR) 1993-07-20 US 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.