SCHEMBL6800938

SCHEMBL6800938

O=[C]c1cn(Cc2ccccn2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.50
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
CHRM1 P11229 1/20 0.44
MAPT P10636 2/20 0.43
SLC2A1 P11166 1/20 0.43
HSD17B10 Q99714 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PKM P14618 2/20 0.41
STAT3 P40763 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL6800946 0.77 ALDH1A1 (0.57) SLC22A12ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL17371732 0.77 SLC22A12 (0.52) SLC22A12KDM4ECHRM1SLC2A1CNR1
SCHEMBL28265757 0.76 SLC22A12 (0.74) SLC22A12KDM4EALDH1A1KMT2AMEN1
SCHEMBL12707446 0.76 SLC22A12 (0.52) SLC22A12KDM4EALDH1A1KMT2AMEN1
SCHEMBL7123036 0.73 NR4A2 (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL8757556 0.73 HRH1 (0.50) SLC22A12KDM4ECHRM1SLC2A1
SCHEMBL28155884 0.73 SLC22A12 (0.60) SLC22A12KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL6802017 0.72 ALDH1A1 (0.55) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL28914985 0.72 NR4A2 (0.64) SLC22A12KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL31005244 0.70 SNCA (0.57) SLC22A12KDM4EALDH1A1KMT2AMEN1

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 SLC22A12 2237/4885KDM4E 1993/4885ALDH1A1 800/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B SLC22A12 2305/4885KDM4E 1983/4885ALDH1A1 700/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B SLC22A12 1942/4885KDM4E 2132/4885ALDH1A1 737/4885

“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.