SCHEMBL17996051

SCHEMBL17996051

COC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.55
ABL1 P00519 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CPS1 P31327 1/20 0.42
SCN9A Q15858 1/20 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
SCHEMBL21274571 0.88 HPGD (0.52) P2RX3MAOBSLC6A4SLC6A3NPC1
SCHEMBL365782 0.87 SCN9A (0.52) P2RX3ABL1TDP1SLC6A4CPS1
SCHEMBL23386692 0.86 XDH (0.51) P2RX3TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL22406928 0.85 CYP11B1 (0.48) P2RX3MAOAMAOBLMNACYP11B1
SCHEMBL22407068 0.84 MAOB (0.68) P2RX3MAOAMAOBLMNACYP11B1
SCHEMBL1350185 0.84 ABL1 (0.64) ABL1SLC6A4SLC6A3CYP11B1CYP11B2
SCHEMBL22406882 0.83 MAOB (0.46) P2RX3MAOAMAOBLMNACYP11B1
SCHEMBL11540801 0.82 MAOB (0.48) P2RX3MAOAMAOBLMNACYP11B1
SCHEMBL28665319 0.81 AR (0.51) P2RX3ABL1TDP1SLC6A4SLC6A3
SCHEMBL5255602 0.81 MAOB (0.52) P2RX3MAOAMAOBLMNACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3059224-B1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD (JP) 2019-03-20 EP disclosed
US-9714213-B2 4-aminomethylbenzoic acid derivative TOA EIYO LTD. (JP) 2017-07-25 US disclosed
US-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD. (JP) 2016-09-15 US disclosed
EP-3059224-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA Eiyo Ltd. (JP) 2016-08-24 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-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE ALDH7A1, CYP2B6, CYP2A6 P2RX3 4577/4885ABL1 99/4885MAOA 154/4885

“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.