SCHEMBL2332821

SCHEMBL2332821

Cc1ccc(-c2c(I)cc(I)cc2I)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.41
▸ KCNMA1 Q12791 2/20 0.39
▸ KAT2B Q92831 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ LMNA P02545 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
SCHEMBL11189916 0.80 TSHR (0.72) TSHRCYP3A4GPR35KAT2BALDH1A1
SCHEMBL771632 0.77 TSHR (0.67) TSHRCYP3A4GPR35KCNMA1KAT2B
SCHEMBL31090841 0.77 TSHR (0.67) TSHRCYP3A4GPR35KCNMA1KAT2B
SCHEMBL4259701 0.74 TSHR (0.62) TSHRCYP3A4GPR35KAT2BALDH1A1
SCHEMBL29864864 0.74 TSHR (0.62) TSHRCYP3A4GPR35KAT2BALDH1A1
SCHEMBL8054600 0.73 TSHR (0.67) TSHRCYP3A4GPR35KCNMA1KAT2B
SCHEMBL12570849 0.73 TSHR (0.60) TSHRCYP3A4GPR35GAAALDH1A1
SCHEMBL2960968 0.71 ALDH1A1 (0.61) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL2340894 0.71 ALDH1A1 (0.49) TSHRCYP3A4ALDH1A1NPC1RAB9A
SCHEMBL294724 0.70 TSHR (1.00) TSHRCYP3A4GPR35KAT2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126788-B1 SYSTEM FOR RADIOGRAPHIC IMAGING OF TISSUE VERITAS PHARMACEUTICALS (US) 2011-08-24 — — EP disclosed
US-6923950-B2 System and method for radiographic imaging of tissue VERITAS PHARMACEUTICALS, INC. (US) 2005-08-02 — — US disclosed
US-20030091508-A1 System and method for radiographic imaging of tissue VERITAS PHARMACEUTICALS, INC. 2003-05-15 — — US disclosed
EP-1126788-A2 SYSTEM AND METHOD FOR RADIOGRAPHIC IMAGING OF TISSUE Veritas Pharmaceuticals (US) 2001-08-29 — — EP disclosed
US-20010001011-A1 System and method for radiographic imaging of tissue SALB JESSE (US) 2001-05-10 — — US disclosed
US-6226352-B1 System and method for radiographic imaging of tissue VERITAS PHARMACEUTICALS, INC. 2001-05-01 — — US disclosed
WO-2000013590-A2 SYSTEM AND METHOD FOR RADIOGRAPHIC IMAGING OF TISSUE VERITAS PHARMACEUTICALS (US) 2000-03-16 — — 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 (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-20010001011-A1 System and method for radiographic imaging of tissue HK1, HK2, SLC2A8 TSHR 781/4885CYP3A4 3511/4885GPR35 2170/4885
US-20030091508-A1 System and method for radiographic imaging of tissue HK1, HK2, SLC2A8 TSHR 781/4885CYP3A4 3511/4885GPR35 2170/4885

“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.

Send feedback