SCHEMBL3979886

SCHEMBL3979886

COC(=O)c1sc2ncnc(Oc3cccc([N+](=O)[O-])c3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 4/20 0.49
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MKNK2 Q9HBH9 3/20 0.44
F10 P00742 1/20 0.42
SETD7 Q8WTS6 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
FGFR1 P11362 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL3980765 0.83 MRGPRX1 (0.64) MRGPRX1HSD17B10MAPTSMN1; SMN2NPSR1
SCHEMBL4365183 0.82 MRGPRX1 (0.51) MRGPRX1HSD17B10MAPTSMN1; SMN2NPSR1
SCHEMBL1890769 0.74 EGFR (0.66) MRGPRX1MAPTALDH1A1LMNAKMT2A
SCHEMBL15426163 0.70 FGFR1 (0.67) LMNAMKNK2FGFR1MKNK1
SCHEMBL3975728 0.70 RAB9A (0.52) MRGPRX1HSD17B10MAPTSMN1; SMN2ALDH1A1
SCHEMBL4369869 0.69 HSD17B10 (0.52) HSD17B10MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL7993232 0.69 MEN1 (0.63) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14422907 0.68 CYP2C9 (0.50) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4902745 0.67 KDR (0.57) HSD17B10HPGDMKNK2FGFR1MKNK1
SCHEMBL2368112 0.67 HPGD (0.57) HSD17B10MAPTSMN1; SMN2ALDH1A1HPGD

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
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 MRGPRX1 2655/4885HSD17B10 1698/4885MAPT 3234/4885

“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.