SCHEMBL2223541

SCHEMBL2223541

O=C(CBr)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
GSK3B P49841 1/20 0.56
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 5/20 0.51
MAPK1 P28482 3/20 0.51
GAA P10253 2/20 0.51
POLB P06746 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL4905046 0.87 GSK3B (0.56) KMT2AGSK3BHSD17B10MAPTMAPK1
SCHEMBL28092969 0.84 KMT2A (0.64) KMT2AHSD17B10TDP1MAPTMAPK1
SCHEMBL615582 0.82 GSK3B (0.57) KMT2AGSK3BTDP1MAPTMAPK1
SCHEMBL28968114 0.81 KMT2A (0.70) KMT2AHSD17B10TDP1MAPTMAPK1
SCHEMBL13070929 0.80 KMT2A (0.63) KMT2AHSD17B10TDP1MAPTMAPK1
SCHEMBL11424036 0.80 KMT2A (0.68) KMT2AHSD17B10TDP1MAPTMAPK1
SCHEMBL231457 0.80 KMT2A (0.72) KMT2AHSD17B10TDP1MAPTMAPK1
SCHEMBL752917 0.80 KMT2A (0.72) KMT2AHSD17B10TDP1MAPTMAPK1
SCHEMBL8877997 0.79 KMT2A (0.57) KMT2ATDP1MAPTMAPK1GAA
SCHEMBL17690536 0.79 KMT2A (0.57) KMT2AHSD17B10TDP1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
EP-2521451-A1 HEDGEHOG INHIBITORS Selexagen Therapeutics, Inc. (US) 2012-11-14 EP disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO 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-20130012513-A1 HEDGEHOG INHIBITORS SHH, SMO, GLI1 KMT2A 2623/4885GSK3B 446/4885HSD17B10 3146/4885

“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.