SCHEMBL1631192

SCHEMBL1631192

CCC(C)OP(=O)(O)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
AKR1C3 P42330 1/20 0.37
CYP1A2 P05177 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL1629454 0.82 ALOX5 (0.34) HTTTDP1ALDH1A1GAATHRB
SCHEMBL1631356 0.81 ALOX15 (0.34) TDP1CYP3A4ALDH1A1THRBTSHR
SCHEMBL1629974 0.80 ALDH1A1 (0.36) TDP1CYP3A4ALDH1A1THRBTSHR
SCHEMBL4023643 0.80 DPP8 (0.34) ALDH1A1DPP7MEN1MAPTRAB9A
SCHEMBL914891 0.80 AKR1C3 (0.44) CYP3A4ALDH1A1TSHRMEN1MAPT
SCHEMBL1631592 0.79 MAPK1 (0.37) ALDH1A1TSHRMEN1RAB9AKMT2A
SCHEMBL917313 0.78 NPSR1 (0.46) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL641442 0.76 ALDH1A1 (0.35) TDP1ALDH1A1TSHRMAPT
SCHEMBL23528125 0.75 GAA (0.56) HTTTDP1CYP3A4ALDH1A1GAA
SCHEMBL30722357 0.75 GAA (0.56) HTTTDP1CYP3A4ALDH1A1GAA

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
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
EP-2183260-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2009032177-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
WO-2009032179-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060872-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS V IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H HTT 4518/4885TDP1 2545/4885CYP3A4 834/4885
US-20090060872-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS V POLI, POLR2H, POLR2E HTT 4453/4885TDP1 2687/4885CYP3A4 1830/4885
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI POLR2E, POLR2H, POLI HTT 4552/4885TDP1 2894/4885CYP3A4 1082/4885
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II POLR2E, POLR2H, POLR2A HTT 4563/4885TDP1 2607/4885CYP3A4 2214/4885

“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.