SCHEMBL13619055

SCHEMBL13619055

Nc1cc(C(=O)O)c(N=Nc2ccc3ccccc3c2)c(N)c1N=Nc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
KMT2A Q03164 14/20 0.45
MEN1 O00255 13/20 0.45
NPC1 O15118 8/20 0.45
RAB9A P51151 7/20 0.45
HSP90AA1 P07900 3/20 0.45
MAPK1 P28482 4/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 7/20 0.43
TDP1 Q9NUW8 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
POLB P06746 4/20 0.42

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
SCHEMBL12906898 0.87 MEN1 (0.47) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL13619065 0.86 KMT2A (0.46) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL14159097 0.80 KMT2A (0.50) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL13432786 0.76 KMT2A (0.47) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL12906940 0.71 MAPT (0.44) IDO1KMT2AMEN1NPC1RAB9A
SCHEMBL3283287 0.70 MEN1 (0.75) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL10017620 0.70 MEN1 (0.75) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL11695313 0.69 SENP2 (0.59) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL13432938 0.68 MEN1 (0.46) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL2291265 0.68 MEN1 (0.73) KMT2AMEN1NPC1RAB9AHSP90AA1

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-7619074-B2 Reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-11-17 US disclosed
US-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-07-09 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-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group SRM, PADI1, NOS1 IDO1 290/4885KMT2A 237/4885MEN1 1375/4885

“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.