SCHEMBL6359121

SCHEMBL6359121

COc1ncccc1N=C(NC#N)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
APLNR P35414 1/20 0.44
TDP1 Q9NUW8 1/20 0.38
P2RX3 P56373 1/20 0.37
P2RX7 Q99572 5/20 0.36
KCNJ11 Q14654 1/20 0.34
IMPDH2 P12268 2/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL6359120 1.00 KMT2A (0.50) KMT2AAPLNRTDP1P2RX3P2RX7
SCHEMBL6361153 0.82 KMT2A (0.49) KMT2ATDP1P2RX3P2RX7IMPDH2
SCHEMBL8625067 0.82 KMT2A (0.49) KMT2ATDP1P2RX3P2RX7IMPDH2
SCHEMBL6361151 0.82 KMT2A (0.49) KMT2ATDP1P2RX3P2RX7IMPDH2
SCHEMBL2086872 0.81 KMT2A (0.56) KMT2AP2RX3P2RX7IMPDH2ALDH1A1
SCHEMBL2086875 0.81 KMT2A (0.56) KMT2AP2RX3P2RX7IMPDH2ALDH1A1
SCHEMBL4781017 0.78 KMT2A (0.58) KMT2AP2RX3P2RX7IMPDH2MEN1
SCHEMBL4781020 0.78 KMT2A (0.58) KMT2AP2RX3P2RX7IMPDH2MEN1
SCHEMBL11244923 0.76 KMT2A (0.59) KMT2AP2RX3P2RX7IMPDH2NPC1
SCHEMBL9954596 0.76 KMT2A (0.56) KMT2ATDP1P2RX3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 KMT2A 3307/4885APLNR 259/4885TDP1 3040/4885

“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.