SCHEMBL1907431

SCHEMBL1907431

CC(=O)NCc1ccccc1-c1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETDB1 Q15047 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ MTNR1A P48039 4/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ MTNR1B P49286 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL1951339 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP1A2MEN1CYP2C19
SCHEMBL12092482 0.79 TLR8 (0.40) NPSR1L3MBTL1CYP1A2MAPTCYP2D6
SCHEMBL1947684 0.78 SGMS2 (0.43) ALDH1A1MTNR1AMTNR1BL3MBTL1LMNA
SCHEMBL24352636 0.77 BCHE (0.40) ALDH1A1MEN1LMNAKMT2ARAB9A
SCHEMBL1115097 0.76 ATR (0.39) PDCD1CD274
SCHEMBL1906832 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19KDM4ENPC1
SCHEMBL13516904 0.75 MGMT (0.48) NPSR1MTNR1AL3MBTL1MEN1KMT2A
SCHEMBL14204990 0.73 SETDB1 (0.59) SETDB1ALDH1A1NPSR1MTNR1AMTNR1B
SCHEMBL12833460 0.72 KCNN4 (0.33) —
SCHEMBL4535798 0.72 LIPG (0.52) SETDB1NPSR1MTNR1AMTNR1BKMT2A

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 11 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
EP-2493862-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS Newlink Genetics Corporation (US) 2012-09-05 — — EP disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 — — WO 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 SETDB1 3139/4885ALDH1A1 705/4885NPSR1 3389/4885

“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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