SCHEMBL2690960

SCHEMBL2690960

O=[N+]([O-])N1CNc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.40
HSD17B3 P37058 1/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 3/20 0.33
HTR7 P34969 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
GFER P55789 1/20 0.31
BRD4 O60885 2/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30

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
SCHEMBL31512482 0.82 AVPR1A (0.39) BRPF1HSD17B3KMT2AMAPTMEN1
SCHEMBL8727463 0.82 AVPR1A (0.39) BRPF1HSD17B3KMT2AMAPTMEN1
SCHEMBL5458675 0.67 BRPF1 (0.40) BRPF1HSD17B3KMT2AMEN1GAA
SCHEMBL4265285 0.66 BRPF1 (0.41) BRPF1HSD17B3KMT2AMAPTMEN1
SCHEMBL30738818 0.66 BRPF1 (0.50) BRPF1HSD17B3KMT2AMAPTMEN1
SCHEMBL28876634 0.66 BRPF1 (0.41) BRPF1HSD17B3KMT2AMEN1GAA
SCHEMBL8304937 0.66 BRPF1 (0.41) BRPF1HSD17B3KMT2AMEN1GAA
SCHEMBL9521938 0.66 BRPF1 (0.41) BRPF1HSD17B3KMT2AMAPTMEN1
SCHEMBL21400260 0.66 BRPF1 (0.41) BRPF1HSD17B3KMT2AMAPTMEN1
SCHEMBL17114712 0.66 BRPF1 (0.41) BRPF1HSD17B3KMT2AMAPTMEN1

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-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 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 (2 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-20100286202-A1 New Compounds REN, PCSK9, FURIN BRPF1 4211/4885HSD17B3 963/4885KMT2A 4014/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 BRPF1 4176/4885HSD17B3 570/4885KMT2A 4011/4885

“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.