SCHEMBL2425959

SCHEMBL2425959

COC(=O)c1cc([N+](=O)[O-])c(I)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.51
▸ PDGFRB P09619 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ CYP3A4 P08684 5/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ ADORA3 P0DMS8 4/20 0.40
▸ CYP2C9 P11712 4/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ AR P10275 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CES2 O00748 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL12353596 0.84 PDGFRB (0.51) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL2242413 0.84 PDGFRB (0.45) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL2239932 0.84 PDGFRB (0.45) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL2239650 0.83 TDP1 (0.44) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL23970914 0.82 PDGFRB (0.43) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL2035638 0.82 CFTR (0.43) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL17049089 0.81 PDGFRB (0.47) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL2040814 0.81 ALDH1A1 (0.43) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL3975198 0.80 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL24065737 0.79 PDGFRB (0.45) CFTRPDGFRBFGFR1PDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 — — CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 — — EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 — — 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 (1 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 CFTR 1476/4885PDGFRB 182/4885FGFR1 2245/4885

“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.

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