SCHEMBL20512950

SCHEMBL20512950

COc1ccc(OCN)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
MAOB P27338 4/20 0.55
TAAR1 Q96RJ0 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
AOC3 Q16853 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
APP P05067 5/20 0.48
AGXT P21549 3/20 0.48
IDO1 P14902 2/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL7640115 0.86 AGXT (0.56) MAOBTAAR1TDP1AGXT
SCHEMBL321542 0.80 TAAR1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL3246110 0.79 WDR5 (0.54) CA1CA2CA9TDP1ALDH1A1
Bromide SCHEMBL9464051 0.78 TAAR1 (0.58) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL1623684 0.78 TAAR1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL1010741 0.78 TAAR1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1343630 0.78 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL10637391 0.78 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL17667163 0.77 TDP1 (0.50) MAOBTAAR1TDP1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL4385466 0.77 MAOB (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-3381915-B1 LACTAM COMPOUND DERIVATIVE AND APPLICATION THEREOF NHWA PHARMA CORP (CN) 2023-01-18 EP disclosed
US-20200399540-A1 BROMINATED FLAME-RETARDANT TETRAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-12-24 US disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
US-20180327397-A1 LACTAM COMPOUND DERIVATIVE AND APPLICATION THEREOF NHWA PHARMA. CORPORATION (CN) 2018-11-15 US disclosed
EP-3381915-A1 LACTAM COMPOUND DERIVATIVE AND APPLICATION THEREOF NHWA Pharma Corporation (CN) 2018-10-03 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 (2 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-20180327397-A1 LACTAM COMPOUND DERIVATIVE AND APPLICATION THEREOF BACE1, QPCT, PSENEN CA12 2647/4885CA1 3150/4885CA2 4835/4885
US-20200399540-A1 BROMINATED FLAME-RETARDANT TETRAZINES PBRM1, NBAS, TIPRL CA12 1900/4885CA1 1303/4885CA2 3970/4885

“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.