SCHEMBL1952140

SCHEMBL1952140

c1ccc(CCc2[nH]cnc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
PDE10A Q9Y233 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
QPCT Q16769 6/20 0.41
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL1949484 0.84 KDM4E (0.53) CYP3A4KDM4EMAPTTAAR1HTT
Acetic Acid SCHEMBL10336672 0.80 ADK (0.43) CYP3A4KDM4EMAPTNPC1RAB9A
SCHEMBL14409315 0.79 KDM4E (0.49) CYP3A4KDM4EMAPTHTTADORA3
SCHEMBL27707292 0.78 KDM4E (0.55) CYP3A4KDM4EMAPTHTTADORA3
SCHEMBL1566538 0.78 KDM4E (0.55) CYP3A4KDM4EMAPTHTTADORA3
SCHEMBL4959700 0.78 KDM4E (0.55) CYP3A4KDM4EMAPTHTTLMNA
SCHEMBL27554380 0.78 KDM4E (0.55) CYP3A4KDM4EMAPTHTTADORA3
SCHEMBL2950095 0.77 GPR84 (0.48) CYP3A4KDM4EMAPTADORA3ADORA2A
SCHEMBL8406363 0.76 LMNA (0.37) CYP3A4KDM4ETAAR1IP6K1IP6K3
SCHEMBL28769851 0.74 KDM4E (0.44) CYP3A4KDM4EMAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
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-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-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 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
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US 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 CYP3A4 250/4885KDM4E 271/4885MAPT 3678/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT CYP3A4 250/4885KDM4E 271/4885MAPT 3678/4885

“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.