SCHEMBL259543

SCHEMBL259543

COc1cccc(C(=O)Nc2ccc(OC)cc2C(N)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 5/20 0.61
POLB P06746 1/20 0.61
HTT P42858 1/20 0.61
PARP1 P09874 1/20 0.59
PYGM P11217 1/20 0.58
AR P10275 1/20 0.57
TSHR P16473 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56

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
SCHEMBL13298828 0.93 RAB9A (0.65) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL882567 0.89 MEN1 (0.76) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL13351709 0.88 MEN1 (0.52) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL874353 0.86 RAB9A (0.66) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL18343125 0.84 ALDH1A1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL14358725 0.84 TSHR (0.72) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL14075332 0.82 PYGM (0.69) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL7360076 0.82 F10 (0.56) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL259626 0.81 CYP2C9 (0.58) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL259608 0.81 ALDH1A1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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 2 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

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 MEN1 3330/4885KMT2A 1722/4885RAB9A 613/4885

“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.