SCHEMBL12676853

SCHEMBL12676853

c1ccc2oc(-c3c[nH]cn3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.54
▸ GRM4 Q14833 1/20 0.53
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ ADRA2A P08913 2/20 0.50
▸ CYP19A1 P11511 1/20 0.49
▸ MAOB P27338 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MAOA P21397 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NISCH Q9Y2I1 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL6823373 0.76 PIM1 (0.43) METAP2GRM4ADRA2AMAOBMAOA
SCHEMBL574760 0.74 GRM4 (0.61) METAP2GRM4NPC1RAB9AMAPT
SCHEMBL29478404 0.74 GRM4 (0.61) METAP2GRM4NPC1RAB9AMAPT
SCHEMBL5612793 0.73 METAP2 (0.54) METAP2GRM4NPC1RAB9AMAPT
SCHEMBL30036439 0.73 MAOB (0.63) METAP2GRM4NPC1RAB9AMAPT
SCHEMBL103158 0.73 MAOB (0.63) METAP2GRM4NPC1RAB9AMAPT
SCHEMBL6823378 0.72 METAP2 (0.53) METAP2GRM4NPC1RAB9AMAPT
SCHEMBL30332746 0.72 NPC1 (0.57) METAP2GRM4NPC1RAB9AMAPT
SCHEMBL3750190 0.71 METAP2 (0.59) METAP2GRM4NPC1RAB9AMAPT
SCHEMBL29061571 0.70 ADRA2A (0.50) METAP2GRM4NPC1RAB9AMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 — — EP disclosed
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 — — EP disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 — — US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 — — US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 — — US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 — — US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 — — US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 — — US disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 — — 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-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT METAP2 143/4885GRM4 2817/4885NPC1 4092/4885

“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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