SCHEMBL13517417

SCHEMBL13517417

c1cc(-c2c[nH]cn2)c2nsnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.37
▸ HPGD P15428 5/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ PKM P14618 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 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
SCHEMBL198065 0.76 MAPT (0.61) KDM4EMAPTHSD17B10HIF1ATXNRD1
SCHEMBL26259557 0.73 IKBKE (0.32) KMT2AMEN1HTT
SCHEMBL3755874 0.71 KDM4E (0.40) KDM4EMAPTHSD17B10HIF1ATXNRD1
SCHEMBL12677012 0.70 CCR1 (0.50) KDM4EMAPTHSD17B10HIF1ALMNA
SCHEMBL13053110 0.69 MAPT (0.38) KDM4EMAPTHSD17B10HIF1ATXNRD1
SCHEMBL13053107 0.69 KDM4E (0.38) KDM4EMAPTHSD17B10HIF1ATXNRD1
SCHEMBL2605854 0.68 KDM4E (0.52) KDM4EMAPTHSD17B10HIF1ATXNRD1
SCHEMBL30697682 0.68 IDO1 (0.48) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL31756355 0.68 MAPT (0.62) KDM4EMAPTHSD17B10HIF1ATXNRD1
SCHEMBL26259713 0.68 ALDH1A1 (0.43) KDM4EMAPTHSD17B10HIF1AALDH1A1

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
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

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 KDM4E 115/4885MAPT 3332/4885HSD17B10 1924/4885

“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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