SCHEMBL12676740

SCHEMBL12676740

CC1(C)OC(=O)c2c(OCCc3ccncc3)cccc2O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 10/20 0.40
▸ CYP11B2 P19099 10/20 0.40
▸ CYP19A1 P11511 4/20 0.38
▸ LTA4H P09960 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ TNF P01375 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ SLC2A4 P14672 1/20 0.33
▸ SLC2A8 Q9NY64 1/20 0.33

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
SCHEMBL13517102 0.85 MAOB (0.38) ALDH1A1TDP1L3MBTL1
SCHEMBL21012608 0.79 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1
SCHEMBL15349588 0.79 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1
SCHEMBL1951354 0.77 ALDH1A1 (0.37) ALDH1A1TDP1L3MBTL1
SCHEMBL1948872 0.77 MCHR1 (0.39) ALDH1A1TDP1L3MBTL1
SCHEMBL2762001 0.76 PRKCA (0.49) ALDH1A1TDP1L3MBTL1
SCHEMBL31091551 0.76 PRKCA (0.49) ALDH1A1TDP1L3MBTL1
SCHEMBL15349916 0.75 ALDH1A1 (0.39) PIM1ALDH1A1GSK3BTDP1L3MBTL1
SCHEMBL12676737 0.74 HTR1A (0.39) ALDH1A1TDP1L3MBTL1
SCHEMBL2762045 0.73 MAOB (0.41) ALDH1A1TDP1L3MBTL1

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 CYP11B1 1011/4885CYP11B2 775/4885CYP19A1 780/4885

“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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