SCHEMBL18086502

SCHEMBL18086502

O=[N+]([O-])c1ccc(OP(=O)(Cl)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
HTT P42858 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 2/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP19A1 P11511 1/20 0.44

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
SCHEMBL18089635 0.84 CA1 (0.59) CA1CA2BCHEACHEHTT
SCHEMBL8519322 0.83 TSHR (0.53) HTTTSHR
SCHEMBL27364772 0.83 AKR1C3 (0.68) AKR1C3NPC1RAB9ACA1CA2
SCHEMBL18214656 0.83 CA1 (0.54) AKR1C3NPC1RAB9ACA1CA2
SCHEMBL6932050 0.82 AKR1C3 (0.70) AKR1C3NPC1RAB9ACA1CA2
SCHEMBL972717 0.80 CA1 (0.67) AKR1C3NPC1RAB9ACA1CA2
SCHEMBL22322100 0.77 CA1 (0.54) NPC1RAB9ACA1CA2BCHE
SCHEMBL1809484 0.76 NPC1 (0.50) NPC1RAB9ACA1CA2CYP2C19
SCHEMBL2081746 0.76 MAPT (0.71) RAB9ACA1CA2HTTMAPT
SCHEMBL13537855 0.75 AKR1C3 (0.60) AKR1C3NPC1RAB9AHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105549-A1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2018-04-19 US disclosed
US-9828408-B2 HCV polymerase inhibitors MEDIVIR AB (SE) 2017-11-28 US disclosed
US-20170107244-A1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2017-04-20 US disclosed
US-20160271160-A1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2016-09-22 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-20160271160-A1 HCV POLYMERASE INHIBITORS POLI, POLB, POLL AKR1C3 1475/4885NPC1 761/4885RAB9A 2125/4885
US-20170107244-A1 HCV POLYMERASE INHIBITORS POLI, POLB, POLL AKR1C3 1475/4885NPC1 761/4885RAB9A 2125/4885
US-20180105549-A1 HCV POLYMERASE INHIBITORS POLI, POLB, POLL AKR1C3 1475/4885NPC1 761/4885RAB9A 2125/4885

“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.