SCHEMBL9199877

SCHEMBL9199877

[c]1cc(-c2ncco2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
LTA4H P09960 3/20 0.42
CHRNA7 P36544 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
HDAC4 P56524 1/20 0.33
BRD4 O60885 2/20 0.31
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
GLRA3 O75311 1/20 0.31
GLRB P48167 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
SCHEMBL722557 0.74 LTA4H (0.64) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL4907036 0.73 LMNA (0.35)
SCHEMBL3222694 0.73 LTA4H (0.53) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28320605 0.72 LTA4H (0.62) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28362996 0.72 LTA4H (0.62) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28257875 0.72 LTA4H (0.62) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL747313 0.72 HPGDS (0.46) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL1152211 0.72 HPGDS (0.50) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28177563 0.72 LTA4H (0.45) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL1459789 0.70 LTA4H (0.44) HPGDSLTA4HCHRNA7CHRNA10CHRNA9

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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
EP-0683772-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
EP-0683772-A4 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-09-27 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 HPGDS 4461/4885LTA4H 1673/4885CHRNA7 1644/4885

“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.