SCHEMBL4147435

SCHEMBL4147435

Nc1cccc2oc(-c3ccc(Br)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 8/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ATM Q13315 1/20 0.45
DGAT1 O75907 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F2RL3 Q96RI0 2/20 0.41
ALOX12 P18054 1/20 0.40

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
SCHEMBL10825753 0.92 NPC1 (0.51) RAB9ASMN1; SMN2HIF1ANPC1MEN1
SCHEMBL6399187 0.87 NPC1 (0.60) RAB9ASMN1; SMN2HIF1ANPC1MEN1
SCHEMBL31433078 0.85 RAB9A (0.53) RAB9ASMN1; SMN2HIF1ANPC1MEN1
SCHEMBL7109574 0.85 RAB9A (0.53) RAB9ASMN1; SMN2HIF1ANPC1MEN1
SCHEMBL2249487 0.84 NPC1 (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL23387540 0.83 RAB9A (0.46) RAB9ASMN1; SMN2HIF1ANPC1MEN1
SCHEMBL2560653 0.80 NPC1 (0.42) RAB9ASMN1; SMN2HIF1ANPC1MEN1
SCHEMBL10236253 0.80 NPC1 (0.55) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL10279123 0.80 NPC1 (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL18935916 0.80 IKBKB (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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 8 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
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
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
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 RAB9A 1920/4885SMN1; SMN2 1628/4885HIF1A 1140/4885

“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.