SCHEMBL7601373

SCHEMBL7601373

O=C(CBr)c1nc2ccc(Br)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
DYRK1A Q13627 1/20 0.51
PPARA Q07869 2/20 0.50
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CLK1 P49759 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4137369 0.82 PPARA (0.57) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL13466474 0.82 RAB9A (0.63) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2479649 0.81 RAB9A (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2990211 0.81 RAB9A (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL25222888 0.80 RAB9A (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL30040337 0.80 RAB9A (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2097484 0.79 RAB9A (0.67) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL20899481 0.77 ALDH1A1 (0.63) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL27927154 0.77 PPARA (0.59) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL30039870 0.77 ALDH1A1 (0.63) 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 11 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-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-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
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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 (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.