SCHEMBL259347

SCHEMBL259347

NC(=O)c1[nH]c2ncccc2c1NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
KDR P35968 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
IRAK4 Q9NWZ3 2/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
MAPK9 P45984 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 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
SCHEMBL259196 0.82 ALDH1A1 (0.47) RAB9AKDRSMN1; SMN2KMT2AALDH1A1
SCHEMBL13298517 0.78 RAB9A (0.53) RAB9AKDRSMN1; SMN2POLBCACNA1B
SCHEMBL259199 0.74 F2 (0.51) RAB9ASMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL24372755 0.74 IRAK4 (0.72) RAB9AKDRSMN1; SMN2POLBCACNA1B
SCHEMBL259193 0.73 RAB9A (0.53) RAB9AKDRSMN1; SMN2POLBCACNA1B
SCHEMBL259336 0.72 MAPT (0.49) RAB9AKDRKMT2AMEN1KDM4E
SCHEMBL10090737 0.71 ALDH1A1 (0.78) RAB9AKDRSMN1; SMN2POLBCACNA1B
SCHEMBL10279317 0.71 RAB9A (0.62) RAB9AKDRSMN1; SMN2POLBCACNA1B
SCHEMBL7079557 0.70 CYP11B1 (0.74) RAB9ASMN1; SMN2POLBCACNA1BAPBA1
SCHEMBL12667942 0.70 GAA (0.46) RAB9ASMN1; SMN2POLBKMT2ANPC1

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-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A RAB9A 613/4885KDR 628/4885SMN1; SMN2 4764/4885

“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.