SCHEMBL13022993

SCHEMBL13022993

C#Cc1cccc(OC(=O)Oc2ccc(N)cc2N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.45
FABP5 Q01469 1/20 0.45
HAO1 Q9UJM8 1/20 0.38
TDP2 O95551 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 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
SCHEMBL13022987 0.82 FABP7 (0.50) FABP7FABP5HAO1TDP2MEN1
SCHEMBL13022988 0.82 FABP7 (0.50) FABP7FABP5HAO1TDP2MEN1
SCHEMBL13023059 0.82 FABP7 (0.50) FABP7FABP5HAO1TDP2MEN1
SCHEMBL13400515 0.76 FABP7 (0.47) FABP7FABP5HAO1TDP2MEN1
SCHEMBL28036637 0.74 MEN1 (0.66) FABP7FABP5HAO1TDP2MEN1
SCHEMBL27669471 0.73 FABP7 (0.49) FABP7FABP5HAO1TDP2MEN1
SCHEMBL13132596 0.72 FABP7 (0.52) FABP7FABP5HAO1TDP2MEN1
SCHEMBL13023050 0.72 FABP7 (0.49) FABP7FABP5HAO1TDP2MEN1
SCHEMBL13400517 0.72 FABP7 (0.46) FABP7FABP5HAO1TDP2MEN1
SCHEMBL13132760 0.72 FABP7 (0.52) FABP7FABP5HAO1MEN1KMT2A

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-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

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 FABP7 4626/4885FABP5 4113/4885HAO1 2104/4885

“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.