SCHEMBL13022992

SCHEMBL13022992

C#Cc1ccc(OC(=O)Oc2cc(N)cc(N)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
MAPT P10636 4/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
CASP6 P55212 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL14775396 0.86 KMT2A (0.45) HAO1KMT2AMEN1CA12CA1
SCHEMBL13400516 0.83 MEN1 (0.40) HAO1KMT2AMEN1MAPTKDM4E
SCHEMBL13022987 0.83 FABP7 (0.50) HAO1KMT2AMEN1CA12CA1
SCHEMBL13022940 0.82 F2 (0.41) HAO1KMT2AMEN1MAPTTDP1
SCHEMBL13023059 0.80 FABP7 (0.50) HAO1KMT2AMEN1CA12CA1
SCHEMBL13023048 0.79 F2 (0.41) HAO1KMT2AMEN1MAPTTDP1
SCHEMBL13400530 0.75 L3MBTL1 (0.48) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL28126828 0.74 KMT2A (0.47) HAO1KMT2AMEN1CA12CA1
SCHEMBL13023061 0.73 MEN1 (0.53) HAO1KMT2AMEN1CA12CA1
SCHEMBL2132487 0.71 TDP1 (0.50) KMT2AMEN1MAPTKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 HAO1 2104/4885KMT2A 583/4885MEN1 379/4885

“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.