SCHEMBL6434804

SCHEMBL6434804

O=C(O)N(Cc1cc(-c2ccccn2)no1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
TSHR P16473 3/20 0.43
S1PR3 Q99500 2/20 0.42
S1PR1 P21453 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.39
NOTUM Q6P988 1/20 0.39
PIN1 Q13526 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6409980 0.80 RAB9A (0.48) NOTUMSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6404913 0.80 ALDH1A1 (0.43) TSHRS1PR3S1PR1KDM4EGAA
SCHEMBL6409336 0.80 NOTUM (0.55) GAANOTUMPOLBALDH1A1SMN1; SMN2
SCHEMBL6403916 0.80 NPC1 (0.50) NOTUMALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL6408092 0.80 CHRNB2 (0.55) S1PR3S1PR1POLBALDH1A1SMN1; SMN2
SCHEMBL6402371 0.79 CA12 (0.45) CA12CA9TSHRS1PR3S1PR1
SCHEMBL6408613 0.78 NOTUM (0.55) GAANOTUMSMN1; SMN2NPC1HTT
SCHEMBL6402481 0.77 HPGD (0.59) CA12CA9KDM4EPOLBALDH1A1
SCHEMBL31434715 0.75 NOTUM (0.62) CA12CA9KDM4EKDM6BKDM4A
SCHEMBL1314692 0.75 NOTUM (0.62) CA12CA9KDM4EKDM6BKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 CA12 4673/4885CA9 4404/4885TSHR 705/4885

“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.