SCHEMBL577333

SCHEMBL577333

O=C(NCc1ccco1)c1cccc(C2=N[N]N=C2c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.69
▸ HPGD P15428 5/20 0.69
▸ TSHR P16473 2/20 0.69
▸ MAPK1 P28482 2/20 0.69
▸ RECQL P46063 1/20 0.69
▸ POLB P06746 3/20 0.59
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPK8 P45983 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HSD17B10 Q99714 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ USP2 O75604 1/20 0.51

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
SCHEMBL1490952 0.79 HPGD (0.76) ALDH1A1HPGDTSHRMAPK1RECQL
SCHEMBL8351088 0.77 ALDH1A1 (0.62) ALDH1A1HPGDTSHRMAPK1RECQL
SCHEMBL1394361 0.77 HPGD (0.72) ALDH1A1HPGDTSHRMAPK1RECQL
SCHEMBL577334 0.76 ALDH1A1 (0.61) ALDH1A1HPGDTSHRMAPK1RECQL
SCHEMBL8349452 0.76 JAK2 (0.61) ALDH1A1HPGDTSHRMAPK1RECQL
SCHEMBL12756960 0.75 POLB (1.00) ALDH1A1HPGDTSHRMAPK1RECQL
SCHEMBL31396762 0.75 POLB (0.71) ALDH1A1HPGDTSHRMAPK1RECQL
SCHEMBL29818022 0.75 POLB (0.71) ALDH1A1HPGDTSHRMAPK1RECQL
SCHEMBL28851995 0.75 POLB (0.71) ALDH1A1HPGDTSHRMAPK1RECQL
SCHEMBL3460597 0.74 PIK3CD (0.56) ALDH1A1HPGDTSHRMAPK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 — — US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 — — US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 — — EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 — — EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 — — US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 — — WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885HPGD 903/4885TSHR 4260/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885HPGD 903/4885TSHR 4260/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885HPGD 903/4885TSHR 4260/4885

“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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