SCHEMBL3645334

SCHEMBL3645334

O=[N+]([O-])c1c(-c2ccc3ccccc3c2)ccnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.42
▸ PIN1 Q13526 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ DHFR P00374 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MAPK9 P45984 3/20 0.36
▸ MAPK10 P53779 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL3650630 0.83 HDAC4 (0.43) GSTP1KDRDHFRCYP3A4KDM4E
SCHEMBL1839553 0.82 ALDH1A1 (0.44) PIN1KDRKDM4EMEN1KMT2A
SCHEMBL4939582 0.77 RAB9A (0.46) PIN1CYP3A4KDM4EMAPTMEN1
SCHEMBL3651028 0.76 MGMT (0.49) GSTP1PIN1CYP3A4MEN1KMT2A
SCHEMBL4932114 0.76 KMT2A (0.43) CYP3A4KDM4EMAPTMEN1KMT2A
SCHEMBL15911817 0.75 ERN1 (0.49) GSTP1DHFRCYP3A4KDM4EHDAC4
SCHEMBL18201473 0.75 CYP3A4 (0.56) GSTP1KDRCYP3A4HDAC4HDAC2
SCHEMBL25120574 0.72 GPBAR1 (0.40) PIN1KDM4EMAPTMEN1KMT2A
SCHEMBL15876287 0.72 ALDH1A1 (0.53) GSTP1KDRCYP3A4HDAC4HDAC2
SCHEMBL31058953 0.72 GPBAR1 (0.40) PIN1KDM4EMAPTMEN1KMT2A

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 6 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
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 GSTP1 3248/4885PIN1 1853/4885KDR 886/4885

“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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