SCHEMBL1905454

SCHEMBL1905454

O=C(COc1ccccc1-c1c[nH]cn1)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ GRM4 Q14833 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ PARP14 Q460N5 1/20 0.37

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
SCHEMBL12676657 0.86 L3MBTL1 (0.46) NPC1MEN1KMT2AL3MBTL1TDP1
SCHEMBL13517521 0.78 L3MBTL1 (0.44) NPC1MEN1KMT2AL3MBTL1TDP1
SCHEMBL13517124 0.78 L3MBTL1 (0.46) NPC1MEN1KMT2AL3MBTL1TDP1
SCHEMBL1901440 0.78 L3MBTL1 (0.41) NPC1L3MBTL1TDP1LMNAMAPK1
SCHEMBL1906980 0.77 L3MBTL1 (0.45) NPC1MEN1KMT2AL3MBTL1TDP1
SCHEMBL1950931 0.76 HTT (0.48) MEN1KMT2AL3MBTL1TDP1LMNA
SCHEMBL13564694 0.76 L3MBTL1 (0.41) NPC1MEN1KMT2AL3MBTL1TDP1
SCHEMBL12676725 0.76 L3MBTL1 (0.44) NPC1KMT2AL3MBTL1TDP1LMNA
SCHEMBL1907043 0.75 IDO1 (0.47) NPC1LMNARAB9AMAPT
SCHEMBL1906527 0.75 TSHR (0.48) MEN1KMT2AL3MBTL1TDP1LMNA

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 10 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

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 NPC1 4092/4885MEN1 3100/4885KMT2A 558/4885

“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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