SCHEMBL3651028

SCHEMBL3651028

O=[N+]([O-])c1c(-c2ccc3ccccc3c2)ccnc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 5/20 0.49
▸ CYP19A1 P11511 2/20 0.46
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ PIN1 Q13526 1/20 0.44
▸ CNR2 P34972 3/20 0.43
▸ PTGES O14684 2/20 0.43
▸ ACHE P22303 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ GSTP1 P09211 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
SCHEMBL1840400 0.86 MGMT (0.53) MGMTCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL4939660 0.84 NPSR1 (0.48) MGMTCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL4937863 0.83 MAOB (0.47) MGMTCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL3650630 0.76 HDAC4 (0.43) MEN1KMT2ANPC1RAB9AALOX5
SCHEMBL3645334 0.76 GSTP1 (0.42) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL6082323 0.76 PIN1 (0.46) MGMTCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL27734094 0.75 MGMT (0.47) MGMTCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL6082553 0.75 TLR8 (0.44) MGMTCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL3591208 0.75 MGMT (0.54) MGMTCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL8564287 0.75 MGMT (0.61) MGMTCYP19A1CYP11B1CYP11B2MEN1

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
EP-2185556-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-05-19 — — EP disclosed
US-20090069319-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-12 — — US disclosed
US-20090069319-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-12 — — US disclosed
WO-2009029609-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-05 — — WO disclosed
WO-2009029609-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-05 — — 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-20090069319-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A MGMT 3231/4885CYP19A1 4368/4885CYP11B1 1007/4885

“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.

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