SCHEMBL953519

SCHEMBL953519

O=Cc1c(Cl)cccc1I

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
KMT2A Q03164 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
MEN1 O00255 1/20 0.70
HSP90AA1 P07900 1/20 0.39
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
SLC22A1 O15245 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL6902686 0.83 ALDH1A1 (0.48) ALDH1A1KMT2ATDP1MEN1CYP2A6
SCHEMBL96214 0.83 ALDH1A1 (1.00) ALDH1A1KMT2ATDP1MEN1HSP90AA1
SCHEMBL28806185 0.80 ALDH1A1 (0.94) ALDH1A1KMT2ATDP1MEN1HSP90AA1
SCHEMBL3784795 0.74 TDP1 (0.73) ALDH1A1KMT2ATDP1MEN1HSP90AA1
SCHEMBL5153352 0.74 MEN1 (0.48) ALDH1A1KMT2ATDP1MEN1CYP2A6
SCHEMBL611923 0.73 ALDH1A1 (0.70) ALDH1A1KMT2ATDP1MEN1HSP90AA1
SCHEMBL1571095 0.73 ALDH1A1 (0.70) ALDH1A1KMT2ATDP1MEN1HSP90AA1
SCHEMBL13456108 0.73 TDP1 (0.39) ALDH1A1KMT2ATDP1MEN1SMN1; SMN2
SCHEMBL910073 0.73 ALDH1A1 (0.70) ALDH1A1KMT2ATDP1MEN1HSP90AA1
SCHEMBL3685875 0.73 ERN1 (0.45) ALDH1A1KMT2ATDP1MEN1LMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225618-A1 IDO Inhibitors MAUTINO MARIO (US) 2019-07-25 US disclosed
US-10233190-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2019-03-19 US disclosed
EP-3348558-A1 COMPOSITIONS COMPRISING FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2018-07-18 EP disclosed
US-20180118753-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2018-05-03 US disclosed
US-9850248-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2017-12-26 US disclosed
US-20160362412-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2016-12-15 US disclosed
US-9388191-B2 Fused imidazole derivatives useful as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2016-07-12 US disclosed
EP-3018132-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2016-05-11 EP disclosed
US-9260434-B2 Fused imidazole derivatives useful as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2016-02-16 US disclosed
EP-2697227-B1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-02-03 EP disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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 (5 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-20160362412-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 1338/4885KMT2A 356/4885TDP1 1271/4885
US-20180118753-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 1338/4885KMT2A 356/4885TDP1 1271/4885
US-20190225618-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 1297/4885KMT2A 357/4885TDP1 1237/4885
US-10233190-B2 IDO inhibitors IDO1, IDO2, INMT ALDH1A1 1338/4885KMT2A 356/4885TDP1 1271/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B ALDH1A1 412/4885KMT2A 805/4885TDP1 1542/4885

“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.