SCHEMBL1502239

SCHEMBL1502239

Oc1cccc(O)c1-c1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
APP P05067 3/20 0.35
MAOA P21397 2/20 0.34
ALDH1A1 P00352 5/20 0.33
ALOX15 P16050 5/20 0.33
HSD17B10 Q99714 5/20 0.33
TDP1 Q9NUW8 5/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
RECQL P46063 3/20 0.33
MMP2 P08253 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EGFR P00533 2/20 0.33
CA2 P00918 2/20 0.33
FYN P06241 2/20 0.33
MMP9 P14780 2/20 0.33
CDK2 P24941 2/20 0.33

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
SCHEMBL1950431 0.83 MEN1 (0.46) IDO1APPALDH1A1ALOX15HSD17B10
SCHEMBL19991724 0.79 CASP6 (0.38) IDO1MAOAALDH1A1ALOX15HSD17B10
SCHEMBL1502109 0.78 IDO1 (0.47) IDO1ALDH1A1ALOX15HSD17B10TDP1
SCHEMBL19991725 0.76 CASP6 (0.35) IDO1MAOAALDH1A1ALOX15HSD17B10
SCHEMBL13516991 0.73 CCR1 (0.34) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL24575837 0.71 KDM4E (0.44) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL23716669 0.71
SCHEMBL1501914 0.71 HSD17B1 (0.58) FYNCDK2METAP2CYP3A4CCNB2
SCHEMBL1948772 0.71 HSP90AA1 (0.41) ALDH1A1ALOX15HSD17B10HPGDMAPT
SCHEMBL26259557 0.70 IKBKE (0.32) HTTMEN1KMT2AAURKAPRKACA

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
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US claimed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US claimed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 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 (2 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885APP 4577/4885MAOA 20/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885APP 4577/4885MAOA 20/4885

“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.