SCHEMBL4153246

SCHEMBL4153246

O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)oc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.75
NPC1 O15118 9/20 0.75
MAPT P10636 7/20 0.75
SMN1; SMN2 Q16637 5/20 0.75
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
ALDH1A1 P00352 2/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
MMP2 P08253 3/20 0.67
MMP9 P14780 3/20 0.67
MMP8 P22894 3/20 0.67
MMP13 P45452 3/20 0.67
MCL1 Q07820 1/20 0.60
ATM Q13315 1/20 0.60
LMNA P02545 1/20 0.59
CASP3 P42574 1/20 0.59
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
PPARG P37231 1/20 0.50
CEPT1 Q9Y6K0 1/20 0.50

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
SCHEMBL10943282 0.91 RAB9A (0.83) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4146732 0.89 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2247322 0.86 RAB9A (0.75) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2245484 0.86 MMP2 (0.85) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2246143 0.86 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4053590 0.83 RAB9A (0.66) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2245249 0.83 NPC1 (1.00) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL14075978 0.83 NPC1 (0.70) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL19380020 0.83 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL14075971 0.83 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2MEN1

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 1920/4885NPC1 1833/4885MAPT 4610/4885

“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.