SCHEMBL1349673

SCHEMBL1349673

CCc1c([N+](=O)[O-])ccc(P(=O)(O)O)c1CC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.37
GPR35 Q9HC97 3/20 0.36
TSHR P16473 4/20 0.34
CYP3A4 P08684 1/20 0.34
PDK1 Q15118 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CTSD P07339 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PTPRC P08575 1/20 0.32

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
Phosphoric Acid SCHEMBL7526442 0.80 HPGD (0.42) FBP1GPR35TSHRCYP3A4ALDH1A1
SCHEMBL2028979 0.79 GRIN2D (0.36) FBP1PDK1ALDH1A1MAPTLMNA
SCHEMBL2526896 0.76 CA1 (0.41) FBP1ALDH1A1MAPTHPGDGAA
SCHEMBL2526898 0.76 CA1 (0.41) FBP1ALDH1A1MAPTHPGDGAA
SCHEMBL14562946 0.76 PDK1 (0.35) FBP1TSHRCYP3A4PDK1ALDH1A1
SCHEMBL18261805 0.74 GABRA1 (0.32) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL8091152 0.74 PDK1 (0.42) FBP1TSHRCYP3A4PDK1ALDH1A1
SCHEMBL10791330 0.74 FBP1 (0.33) FBP1TSHRCYP3A4PDK1ALDH1A1
SCHEMBL2033188 0.74 PGK1 (0.38) FBP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL7020614 0.73 POLB (0.38) ALDH1A1HPGDGAASMN1; SMN2

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-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-8063072-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LI JIM 2011-03-24 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 (2 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-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 FBP1 2308/4885GPR35 2593/4885TSHR 2301/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS FBP1 426/4885GPR35 2424/4885TSHR 4171/4885

“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.