SCHEMBL1906071

SCHEMBL1906071

Oc1ccc(F)cc1-c1cnc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 1.00
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 1/20 0.59
CASP6 P55212 1/20 0.50
NPC1 O15118 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
ALOX12 P18054 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
SCHEMBL12677004 0.87 IDO1 (0.77) IDO1SMN1; SMN2POLBCASP6HSP90AA1
SCHEMBL12543941 0.81 IDO1 (0.74) IDO1SMN1; SMN2POLBMAPTCYP3A4
SCHEMBL1901766 0.79 IDO1 (1.00) IDO1SMN1; SMN2POLBMAPTNPSR1
SCHEMBL1948585 0.79 IDO1 (1.00) IDO1SMN1; SMN2POLBNPC1MAPT
SCHEMBL1902858 0.79 IDO1 (1.00) IDO1MAPTNPSR1MEN1ALOX15
SCHEMBL13911011 0.79 IDO1 (0.65) IDO1SMN1; SMN2POLB
SCHEMBL13517302 0.76 IDO1 (0.61) IDO1SMN1; SMN2POLBCASP6HSP90AA1
SCHEMBL1950869 0.75 IDO1 (1.00) IDO1SMN1; SMN2POLBCASP6
SCHEMBL872388 0.75 POLB (1.00) IDO1SMN1; SMN2POLBMAPTCYP1A2
SCHEMBL1950240 0.75 IDO1 (0.64) IDO1NPC1MAPTRAB9ACYP1A2

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
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US claimed
EP-2493862-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS Newlink Genetics Corporation (US) 2012-09-05 EP claimed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO claimed
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

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 IDO1 1/4885SMN1; SMN2 4752/4885POLB 2610/4885

“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.