SCHEMBL1950453

SCHEMBL1950453

O=C(COc1ccccc1-c1cnc[nH]1)Nc1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ HPGD P15428 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ IDO1 P14902 8/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ STAT3 P40763 1/20 0.49
▸ NOTUM Q6P988 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ SFN P31947 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NFKB1 P19838 1/20 0.47

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
SCHEMBL16200833 0.78 IDO1 (0.52) IDO1KMT2APRMT5WDR77
SCHEMBL1948956 0.73 ALDH1A1 (0.67) NPC1RAB9AHPGDALDH1A1TSHR
SCHEMBL1949153 0.73 GAA (0.60) HPGDALDH1A1IDO1POLBLMNA
SCHEMBL1904700 0.72 IDO1 (0.56) L3MBTL1IDO1LMNAPRMT5WDR77
SCHEMBL1907852 0.72 IDO1 (0.56) ALDH1A1L3MBTL1IDO1SMN1; SMN2KDM4E
SCHEMBL871858 0.72 IDO1 (0.71) IDO1
SCHEMBL2557848 0.72 NPC1 (0.69) NPC1RAB9AHPGDALDH1A1TSHR
SCHEMBL1950468 0.71 IDO1 (0.55) IDO1LMNAMEN1KMT2APRMT5
SCHEMBL1948661 0.71 IDO1 (0.42) NPC1RAB9AHPGDALDH1A1IDO1
SCHEMBL4619352 0.71 NPC1 (0.70) NPC1RAB9AHPGDALDH1A1TSHR

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 9 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-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-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

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 3530/4885HPGD 305/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT NPC1 4364/4885RAB9A 3530/4885HPGD 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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