SCHEMBL4154996

SCHEMBL4154996

Nc1ccnc2cc(-c3ccc(Br)cc3Cl)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 1/20 0.37
UBA1 P22314 1/20 0.36
UBE2E1 P51965 1/20 0.36
DPP4 P27487 5/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 2/20 0.35
RAB9A P51151 3/20 0.33
EGLN2 Q96KS0 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CRHR1 P34998 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL10236252 0.81 MAPT (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL10279214 0.81 NPC1 (0.39) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL4146995 0.80 MAPT (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5309724 0.74 APOBEC3A (0.42) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL16863126 0.74 MAPT (0.53) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL16116499 0.70 ALDH1A1 (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL25284514 0.70 NPC1 (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL16863088 0.69 MAPT (0.40) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL16863146 0.68 NPC1 (0.48) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5385950 0.67 MAPT (0.46) MAPTKDM4EALDH1A1SMN1; SMN2NPC1

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
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 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 MAPT 4610/4885KDM4E 794/4885ALDH1A1 1037/4885

“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.