SCHEMBL1106580

SCHEMBL1106580

[C-]#[N+]c1ccc(/C(N)=N/O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.50
RAB9A P51151 4/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL21215222 0.81 KDM1A (0.60) KDM1ARAB9AGAALMNAKMT2A
SCHEMBL1106537 0.74 HDAC3 (0.33) HDAC1HDAC2
SCHEMBL10092621 0.74 KDM1A (0.54) KDM1ARAB9AGAALMNAKMT2A
SCHEMBL1106586 0.73 PARP10 (0.48) GAALMNAKMT2AL3MBTL1MAPT
SCHEMBL1106593 0.73 HTT (0.45) MAPTHSD17B10HDAC1HDAC2
SCHEMBL8271836 0.72 KDM1A (0.52) KDM1ARAB9AGAALMNAKMT2A
SCHEMBL15682614 0.72 KDM1A (0.52) KDM1ARAB9AGAALMNAKMT2A
SCHEMBL1269960 0.72 KDM1A (0.52) KDM1ARAB9AGAALMNAKMT2A
SCHEMBL1187298 0.72 KDM1A (0.76) KDM1ARAB9AGAALMNAKMT2A
SCHEMBL771386 0.72 KDM1A (0.76) KDM1ARAB9AGAALMNAKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KDM1A 1882/4885RAB9A 2543/4885GAA 511/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KDM1A 1882/4885RAB9A 2543/4885GAA 511/4885

“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.