SCHEMBL4146833

SCHEMBL4146833

Nc1ccnc2cc(-c3ccc(B(O)O)cc3Cl)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
MAPT P10636 5/20 0.37
THRB P10828 1/20 0.37
UBA1 P22314 1/20 0.36
UBE2E1 P51965 1/20 0.36
TTR P02766 1/20 0.34
DPP4 P27487 6/20 0.34
DPP8 Q6V1X1 3/20 0.34
DPP9 Q86TI2 2/20 0.34
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
KDM4E B2RXH2 3/20 0.32
PDE4D Q08499 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4154996 0.81 MAPT (0.39) NPC1MAPTTHRBUBA1UBE2E1
SCHEMBL1458633 0.81 ALDH1A1 (0.52) NPC1MAPTDPP4DPP8DPP9
SCHEMBL10236252 0.78 MAPT (0.44) NPC1MAPTTHRBUBA1UBE2E1
SCHEMBL10279214 0.78 NPC1 (0.39) NPC1MAPTTHRBUBA1UBE2E1
SCHEMBL4156078 0.72 NPC1 (0.35) NPC1MAPTTHRBUBA1UBE2E1
SCHEMBL16863126 0.71 MAPT (0.53) NPC1MAPTTHRBDPP4DPP8
SCHEMBL16116499 0.68 ALDH1A1 (0.44) NPC1MAPTTHRBDPP4DPP8
SCHEMBL25284514 0.68 NPC1 (0.60) NPC1MAPTTHRBRAB9AL3MBTL1
SCHEMBL16863088 0.66 MAPT (0.40) NPC1MAPTTHRBRAB9AL3MBTL1
SCHEMBL4146995 0.65 MAPT (0.58) NPC1MAPTRAB9AL3MBTL1LMNA

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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO 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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS NPC1 1833/4885MAPT 4610/4885THRB 1640/4885

“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.