SCHEMBL2479649

SCHEMBL2479649

O=C(Cl)c1nc2ccc(Br)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
DYRK1A Q13627 1/20 0.54
PPARA Q07869 2/20 0.52
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45
APP P05067 1/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
CLK1 P49759 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL22479064 0.87 TUBB4A (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL13466474 0.85 RAB9A (0.63) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL4137369 0.85 PPARA (0.57) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2990211 0.83 RAB9A (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL7601373 0.81 RAB9A (0.51) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL11224458 0.80 DYRK1A (0.55) RAB9ANPC1DYRK1AMAPTLMNA
SCHEMBL25222888 0.80 RAB9A (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL20899481 0.80 ALDH1A1 (0.63) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL30039870 0.80 ALDH1A1 (0.63) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL30040337 0.80 RAB9A (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
EP-2682393-A1 Inhibitors of HCV NS5A comprising a bicyclic core. Presidio Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-8618151-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-12-31 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
EP-2373172-B1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2013-07-17 EP disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
EP-2575866-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
CN-102647909-A Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS INC 2012-08-22 CN disclosed
WO-2010065674-A9 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-31 WO disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
EP-2373172-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
WO-2010065674-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 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 (4 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1313/4885NPC1 119/4885CYP1A2 3701/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885NPC1 122/4885CYP1A2 3511/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885NPC1 122/4885CYP1A2 3511/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885NPC1 122/4885CYP1A2 3511/4885

“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.