SCHEMBL1950435

SCHEMBL1950435

COC(=O)CCC(C)(C)CCOc1ccccc1-c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
ADRB2 P07550 1/20 0.34
RAB9A P51151 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FABP3 P05413 1/20 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
SCHEMBL1950475 0.89 IDO1 (0.42) IDO1LMNAKDM4EALDH1A1CYP4F2
SCHEMBL12544260 0.89 CYP4F2 (0.44) IDO1LMNAALDH1A1USP2CYP4F2
Hydrochloric Acid SCHEMBL1948572 0.88 CYP4F2 (0.43) IDO1LMNAALDH1A1USP2CYP4F2
SCHEMBL1901426 0.85 IDO1 (0.46) IDO1LMNAKDM4EALDH1A1
SCHEMBL1949867 0.85 MTNR1A (0.43) IDO1KDM4EALDH1A1L3MBTL1
SCHEMBL1951357 0.81 IDO1 (0.58) IDO1LMNAMAPK1ADRB2RAB9A
SCHEMBL12544143 0.80 IDO1 (0.69) IDO1
SCHEMBL1948924 0.78 DRD4 (0.42) IDO1TSHRKDM4EALDH1A1MAPK1
SCHEMBL1949401 0.76 KDM4E (0.46) IDO1TSHRKDM4EUSP2L3MBTL1
SCHEMBL1948580 0.74 IDO1 (0.42) IDO1

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 15 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-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
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 IDO1 1/4885TSHR 2445/4885LMNA 4867/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885TSHR 2445/4885LMNA 4867/4885

“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.