SCHEMBL1949049

SCHEMBL1949049

CC1(C)OC(=O)c2c(OCc3ccc(Cl)cc3)cccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 3/20 0.42
PRKCA P17252 1/20 0.42
HPD P32754 1/20 0.41
MAOA P21397 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2761788 0.88 MAOB (0.43) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL2762045 0.88 MAOB (0.41) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2762001 0.88 PRKCA (0.49) MAPTALDH1A1TDP1MAOBPRKCA
SCHEMBL31091551 0.88 PRKCA (0.49) MAPTALDH1A1TDP1MAOBPRKCA
SCHEMBL13517102 0.88 MAOB (0.38) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL31013857 0.80 MAOB (0.41) MAPTTDP1MAOBPRKCAL3MBTL1
SCHEMBL22132714 0.78 KDM4E (0.35) KDM4EALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL15349916 0.77 ALDH1A1 (0.39) ALDH1A1TDP1PRKCAL3MBTL1KMT2A
SCHEMBL21012608 0.76 ALDH1A1 (0.38) ALDH1A1TDP1PRKCAL3MBTL1HTR1A
SCHEMBL15349588 0.76 ALDH1A1 (0.38) NPC1ALDH1A1TDP1PRKCAL3MBTL1

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 NPC1 4364/4885RAB9A 3530/4885MAPT 3678/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT NPC1 4364/4885RAB9A 3530/4885MAPT 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.