SCHEMBL3427834

SCHEMBL3427834

O=C(Nc1ccc2c(c1)OCO2)c1nn(CCCOc2ccccc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
USP2 O75604 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ELANE P08246 1/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 6/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 7/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
ALOX15 P16050 1/20 0.50
EPHX2 P34913 1/20 0.49
NPC1 O15118 5/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL3428314 0.95 TSHR (0.55) TSHRUSP2NPSR1ELANEATM
SCHEMBL3432880 0.89 KMT2A (0.51) TSHRUSP2NPSR1ELANEATM
SCHEMBL3406432 0.83 RAB9A (0.61) TSHRUSP2NPSR1ELANEATM
SCHEMBL3429942 0.81 TSHR (0.57) TSHRUSP2NPSR1ELANEATM
SCHEMBL3431330 0.81 ELANE (0.53) ELANEMAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL3759853 0.80 NPSR1 (0.56) TSHRUSP2NPSR1ELANEATM
SCHEMBL3751996 0.79 RAB9A (0.53) TSHRUSP2NPSR1MAPTGAA
SCHEMBL3428420 0.79 TSHR (0.53) TSHRUSP2NPSR1ELANEATM
SCHEMBL3430299 0.79 USP2 (0.55) TSHRUSP2NPSR1ELANEATM
SCHEMBL3430664 0.78 RAB9A (0.56) TSHRUSP2NPSR1ELANEATM

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 6 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
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

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 TSHR 2079/4885USP2 2684/4885NPSR1 2692/4885

“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.