SCHEMBL16181024

SCHEMBL16181024

C=C(N/N=C/c1cc(Br)cc(OC)c1O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.49
ADORA2A P29274 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KLF5 Q13887 1/20 0.48
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ASF1A Q9Y294 1/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL683810 0.86 MAPT (0.65) KMT2AMEN1NPC1L3MBTL1KLF5
SCHEMBL21192738 0.86 MAPT (0.65) KMT2AMEN1NPC1L3MBTL1KLF5
SCHEMBL21145646 0.79 MAPT (0.61) KMT2AMEN1NPC1L3MBTL1KLF5
SCHEMBL684559 0.79 MAPT (0.61) KMT2AMEN1NPC1L3MBTL1KLF5
SCHEMBL684648 0.77 KDM1A (0.58) KMT2AMEN1NPC1L3MBTL1KLF5
SCHEMBL7750457 0.76 ERN1 (0.54) ERN1KMT2AMEN1NPC1L3MBTL1
SCHEMBL5573608 0.76 ERN1 (0.54) ERN1KMT2AMEN1NPC1L3MBTL1
SCHEMBL7750450 0.76 ERN1 (0.54) ERN1KMT2AMEN1NPC1L3MBTL1
SCHEMBL5573616 0.76 ERN1 (0.54) ERN1KMT2AMEN1NPC1L3MBTL1
SCHEMBL12416703 0.76 MAPT (0.70) ERN1KMT2AMEN1MAPTLMNA

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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-8865901-B2 Gain-of-function Bcl-2 inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-10-21 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 ERN1 2732/4885ADORA2A 1942/4885KMT2A 3471/4885

“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.