SCHEMBL3428165

SCHEMBL3428165

O=C(O)c1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.54
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
HPGD P15428 2/20 0.50
MAPK10 P53779 1/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3R2 O00459 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47

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
SCHEMBL3403474 0.88 PTGER4 (0.50) PTGER4IDO1TDO2PTGS1PTGS2
SCHEMBL3428148 0.83 FLT3 (0.55) PTGER4IDO1TDO2HPGDTSHR
SCHEMBL3428309 0.81 PTGER4 (0.59) PTGER4HPGDTSHRHIF1APIK3CD
SCHEMBL3428968 0.81 FLT3 (0.52) PTGER4IDO1TDO2HPGDKDM4E
SCHEMBL3762123 0.80 PTGER4 (0.50) PTGER4HPGDPIK3CDPIK3R2PIK3CA
SCHEMBL3431403 0.80 RAB9A (0.56) KDM4EALDH1A1MAPTHTT
SCHEMBL1225871 0.79 PTGER4 (0.66) PTGER4HPGDTSHRGAACYP1A2
SCHEMBL29805498 0.79 PTGER4 (0.66) PTGER4HPGDTSHRGAACYP1A2
SCHEMBL3760296 0.79 NPC1 (0.57) PTGER4HPGDTSHRNPSR1ALDH1A1
SCHEMBL3430598 0.79 LRRK2 (0.53) PTGER4IDO1TDO2PTGS2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257340-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-12-08 EP disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 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 (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-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY CPT1B, SMN1; SMN2, GYS1 PTGER4 3500/4885IDO1 4151/4885TDO2 3969/4885

“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.