SCHEMBL3406432

SCHEMBL3406432

O=C(Nc1ccc2c(c1)OCO2)c1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
NPC1 O15118 8/20 0.61
USP2 O75604 3/20 0.60
TSHR P16473 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ATM Q13315 2/20 0.60
ELANE P08246 1/20 0.60
MAPT P10636 5/20 0.56
GSK3B P49841 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
PTGER4 P35408 1/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL3759853 0.94 NPSR1 (0.56) RAB9ANPC1USP2TSHRNPSR1
SCHEMBL3429942 0.94 TSHR (0.57) RAB9ANPC1USP2TSHRNPSR1
SCHEMBL3430299 0.93 USP2 (0.55) RAB9ANPC1USP2TSHRNPSR1
SCHEMBL3427905 0.92 MAPT (0.56) RAB9ANPC1USP2TSHRNPSR1
SCHEMBL3430664 0.92 RAB9A (0.56) RAB9ANPC1USP2TSHRNPSR1
SCHEMBL3432551 0.91 ALDH1A1 (0.57) RAB9ANPC1USP2TSHRNPSR1
SCHEMBL30448176 0.91 ELANE (0.57) RAB9ANPC1USP2TSHRNPSR1
SCHEMBL28363291 0.91 ELANE (0.57) RAB9ANPC1USP2TSHRNPSR1
SCHEMBL3432147 0.90 USP2 (0.52) RAB9ANPC1USP2TSHRNPSR1
SCHEMBL3430287 0.90 PTGER4 (0.57) RAB9ANPC1USP2TSHRNPSR1

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
EP-2257340-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-12-08 EP claimed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US claimed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 WO claimed
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
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US 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 RAB9A 2878/4885NPC1 2272/4885USP2 2684/4885

“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.