SCHEMBL1949153

SCHEMBL1949153

O=C(COc1ccccc1-c1cnc[nH]1)NCc1cccs1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.60
▸ POLB P06746 1/20 0.55
▸ HPGD P15428 4/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ PRMT5 O14744 1/20 0.50
▸ WDR77 Q9BQA1 1/20 0.50
▸ LMNA P02545 2/20 0.48
▸ IDO1 P14902 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ DHODH Q02127 1/20 0.45

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
SCHEMBL1948956 0.82 ALDH1A1 (0.67) POLBHPGDPRMT5WDR77LMNA
SCHEMBL13517718 0.81 GAA (0.60) GAAPOLBHPGDTRPM8LMNA
SCHEMBL1901345 0.79 HPGD (0.57) POLBHPGDPRMT5WDR77IDO1
SCHEMBL10168728 0.76 HPGD (0.84) GAAPOLBHPGDTRPM8LMNA
SCHEMBL1907044 0.73 IDO1 (0.52) PRMT5WDR77IDO1
SCHEMBL1950453 0.73 NPC1 (0.59) POLBHPGDPRMT5WDR77LMNA
SCHEMBL1904700 0.72 IDO1 (0.56) PRMT5WDR77LMNAIDO1
SCHEMBL1902856 0.71 IDO1 (0.52) PRMT5WDR77LMNAIDO1
SCHEMBL1907852 0.70 IDO1 (0.56) PRMT5WDR77LMNAIDO1ALDH1A1
SCHEMBL1907909 0.69 CTNNB1 (0.48) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 — — 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 GAA 2068/4885POLB 2996/4885HPGD 305/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT GAA 2068/4885POLB 2996/4885HPGD 305/4885

“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.

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