SCHEMBL3383807

SCHEMBL3383807

O=C(O)c1ccn(-c2ccccc2-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
MGLL Q99685 1/20 0.41
RPA1 P27694 1/20 0.40
TGFBR1 P36897 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HNF4A P41235 1/20 0.38
SCN9A Q15858 1/20 0.38
HSD17B10 Q99714 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
NR1H2 P55055 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6438780 0.85 PTGS2 (0.50) AKR1C3AKR1C1
SCHEMBL2510446 0.80 IDO1 (0.42) ALDH1A1HTTMAPTMGLLRPA1
SCHEMBL15754580 0.79 ALDH1A1 (0.54) ALDH1A1HTTMAPTRPA1CYP2C9
SCHEMBL8297949 0.76 NPC1 (0.49) ALDH1A1AKR1C3AKR1C1KDM4E
SCHEMBL1063920 0.75 CYP2C9 (0.61) ALDH1A1HTTMAPTRPA1CYP2C9
SCHEMBL25022440 0.75 NPSR1 (0.43) ALDH1A1NPSR1MAPTHSD17B10KDM4E
SCHEMBL1367745 0.75 MARS1 (0.44) HTTMGLLKDM4E
SCHEMBL15760278 0.75 ACKR3 (0.46) ALDH1A1NPSR1HTTMAPTMGLL
SCHEMBL22204516 0.74 GRM5 (0.40) ALDH1A1HTTMAPTMGLLCYP1A2
SCHEMBL28244962 0.72 SCN9A (0.49) MGLLCYP2C9SCN9A

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
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP disclosed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 EP 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-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA ALDH1A1 282/4885NPSR1 3343/4885HTT 796/4885

“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.