SCHEMBL259597

SCHEMBL259597

COC(=O)c1cnccc1NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
POLB P06746 1/20 0.73
CACNA1B Q00975 1/20 0.73
APBA1 Q02410 1/20 0.73
RAB9A P51151 5/20 0.62
NPC1 O15118 3/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
MAPT P10636 1/20 0.54
KDR P35968 1/20 0.54
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.53
PYGL P06737 1/20 0.52
SETD7 Q8WTS6 1/20 0.52

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
SCHEMBL4094329 0.85 KMT2A (0.66) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL2624442 0.82 SMN1; SMN2 (0.81) SMN1; SMN2POLBCACNA1BAPBA1RAB9A
SCHEMBL259603 0.81 ALDH1A1 (0.62) SMN1; SMN2POLBRAB9ANPC1KMT2A
SCHEMBL5834186 0.81 KMT2A (0.63) SMN1; SMN2POLBCACNA1BAPBA1RAB9A
SCHEMBL219394 0.80 SMN1; SMN2 (0.81) SMN1; SMN2POLBCACNA1BAPBA1RAB9A
SCHEMBL7122268 0.78 KMT2A (0.56) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL6779077 0.76 KMT2A (0.70) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL5834652 0.76 KMT2A (0.70) SMN1; SMN2POLBCACNA1BAPBA1RAB9A
SCHEMBL7743046 0.76 KMT2A (0.81) SMN1; SMN2POLBCACNA1BAPBA1RAB9A
SCHEMBL7079557 0.75 CYP11B1 (0.74) SMN1; SMN2POLBCACNA1BAPBA1RAB9A

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 7 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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 SMN1; SMN2 4764/4885POLB 2203/4885CACNA1B 3179/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A SMN1; SMN2 4764/4885POLB 2203/4885CACNA1B 3179/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A SMN1; SMN2 4764/4885POLB 2203/4885CACNA1B 3179/4885

“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.