SCHEMBL1521083

SCHEMBL1521083

CCCn1c(=N)n(CC)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 5/20 0.59
KDM4E B2RXH2 4/20 0.59
HTT P42858 1/20 0.59
TSHR P16473 4/20 0.58
MAPK1 P28482 1/20 0.58
TP53 P04637 1/20 0.56
CXCR3 P49682 2/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HPGD P15428 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL13332640 0.82 LMNA (0.76) ALDH1A1MAPTKDM4EHTTTSHR
SCHEMBL6909959 0.76 PGR (0.53) ALDH1A1MAPTKDM4EGAA
SCHEMBL4100208 0.74 KDM4E (0.70) ALDH1A1MAPTKDM4EHTTTSHR
SCHEMBL13332623 0.73 LMNA (0.61) ALDH1A1MAPTKDM4EHTTTSHR
SCHEMBL6909258 0.72 PGR (0.57) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11462755 0.72 APEX1 (0.55) ALDH1A1MAPTKDM4EHTTTSHR
SCHEMBL16688526 0.72 MAPT (0.56) ALDH1A1MAPTKDM4EHTTTSHR
SCHEMBL11712251 0.71 LMNA (0.67) ALDH1A1MAPTKDM4EHTTTSHR
SCHEMBL17749497 0.70 LMNA (0.86) ALDH1A1MAPTHTTTSHRMAPK1
SCHEMBL16688517 0.70 CXCR3 (0.67) ALDH1A1MAPTKDM4ETSHRMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 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 (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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 1077/4885MAPT 2968/4885KDM4E 288/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 1238/4885MAPT 3083/4885KDM4E 299/4885

“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.