Sugi Predict

Sugi Predict / Compounds / SCHEMBL1728496

SCHEMBL1728496

SCHEMBL1728496

O=C(c1ccccc1)c1cn2cc(I)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ APP P05067 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL2085892 0.83 RAB9A (0.50) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL2087968 0.83 PTGS1 (0.51) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL1728538 0.83 PTGS1 (0.73) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL1734073 0.82 PTGS1 (0.62) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL2087802 0.82 PTGS1 (0.46) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL4211423 0.82 RAB9A (0.53) PTGS1PTGS2RAB9ANPC1EGLN1
SCHEMBL2086415 0.82 RXFP1 (0.47) PTGS1PTGS2RAB9ANPC1EGLN1
Bromide SCHEMBL2087132 0.82 PTGS1 (0.50) PTGS1PTGS2RAB9ANPC1MAPT
SCHEMBL2086460 0.82 PTGS1 (0.50) PTGS1PTGS2EGLN1CYP2C9NR4A2
SCHEMBL2088007 0.82 EGLN1 (0.61) PTGS1PTGS2EGLN1CYP2C9NR4A2

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-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-04 — — US claimed
EP-2260033-B1 2-benzoylimidazo[1,2-a]pyridine derivatives, preparation thereof and therapeutic use thereof SANOFI SA (FR) 2011-11-23 — — EP disclosed
US-7902219-B2 2-benzoylimidazopyridine derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-03-08 — — US disclosed
US-20100317687-A1 2-BENZOYLIMIDAZO[1,2-a]PYRIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 — — US disclosed
US-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-04 — — US 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 (2 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-20100317687-A1 2-BENZOYLIMIDAZO[1,2-a]PYRIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, REN, GLS PTGS1 1046/4885PTGS2 1343/4885RAB9A 1587/4885
US-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF NR4A2, NR4A3, NCOR1 PTGS1 2497/4885PTGS2 2710/4885RAB9A 3310/4885

“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.