SCHEMBL25896409

SCHEMBL25896409

CCCCCOCCCCCN=[N+]=[N-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
CES1 P23141 1/20 0.40
CES2 O00748 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
LPAR3 Q9UBY5 7/20 0.36
LPAR2 Q9HBW0 6/20 0.36
LPAR1 Q92633 3/20 0.36
LPAR5 Q9H1C0 2/20 0.35
LPAR6 P43657 1/20 0.35
LPAR4 Q99677 1/20 0.35

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
SCHEMBL25896412 1.00 HTT (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL25957558 1.00 HTT (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL30002762 0.98 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL15923111 0.98 HTT (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL25957567 0.98 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL15923100 0.92 HTT (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL17309230 0.92 HTT (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL16218386 0.90 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL15923216 0.90 HTT (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL31749577 0.90 HTT (0.50) HTTMEN1THRBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638477-B Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication 共晶制药公司 2024-01-26 CN disclosed
US-20230241057-A1 COMPOUNDS FOR THE PREVENTION, TREATMENT AND DIAGNOSIS OF THROMBI UNIVERSITE PARIS 13 PARIS-NORD (FR) 2023-08-03 US disclosed
CN-110637022-B Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication 共晶制药公司 2022-09-16 CN disclosed
CN-112638477-A Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication 共晶制药公司 2021-04-09 CN disclosed
CN-110637022-A Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication 共晶制药公司 2019-12-31 CN 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-20230241057-A1 COMPOUNDS FOR THE PREVENTION, TREATMENT AND DIAGNOSIS OF THROMBI SERPINC1, PLAT, F2 HTT 429/4885MEN1 1004/4885THRB 2016/4885

“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.