SCHEMBL1906950

SCHEMBL1906950

CC(=O)Nc1ccc(CCO)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.46
IDO1 P14902 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.45
ESRRA P11474 1/20 0.45
CNR1 P21554 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL6815388 0.92 ALDH1A1 (0.55) RORCSMN1; SMN2L3MBTL1HTTPOLB
SCHEMBL9756597 0.87 RORC (0.56) RORCSMN1; SMN2L3MBTL1POLBALDH1A1
SCHEMBL6815392 0.85 RORC (0.41) RORCSMN1; SMN2L3MBTL1HTTPOLB
SCHEMBL10619104 0.85 RORC (0.62) RORCSMN1; SMN2L3MBTL1POLBALDH1A1
SCHEMBL27916473 0.82 RORC (0.55) RORCSMN1; SMN2L3MBTL1POLBALDH1A1
SCHEMBL11622425 0.82 RORC (0.55) RORCSMN1; SMN2L3MBTL1POLBALDH1A1
SCHEMBL7157865 0.80 CYP17A1 (0.45) SMN1; SMN2POLBALDH1A1IDO1MEN1
SCHEMBL27820437 0.79 RORC (0.56) RORCSMN1; SMN2L3MBTL1POLBALDH1A1
SCHEMBL6571935 0.79 MAPT (0.45) SMN1; SMN2L3MBTL1HTTPOLBALDH1A1
SCHEMBL9773576 0.79 POLB (0.50) SMN1; SMN2L3MBTL1HTTPOLBALDH1A1

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 8 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
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
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 RORC 729/4885SMN1; SMN2 4752/4885L3MBTL1 3532/4885

“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.