SCHEMBL1719263

SCHEMBL1719263

Cn1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(I)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.43
RXRB P28702 5/20 0.43
RXRG P48443 4/20 0.41
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
XDH P47989 1/20 0.37
PIN1 Q13526 1/20 0.37
PTGS1 P23219 1/20 0.36
IKBKE Q14164 1/20 0.35
GAA P10253 1/20 0.34
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34
FXYD2 P54710 1/20 0.34
ATP1A4 Q13733 1/20 0.34
CES2 O00748 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL1719970 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2XDHPIN1NPC1
SCHEMBL1719231 0.86 ALDH1A1 (0.40) ALDH1A1PIN1GAANPC1
SCHEMBL1720140 0.79 PTGS1 (0.38) RXRARXRBPTGS1ATP1A1ATP1B1
SCHEMBL1720537 0.76 PTGS2 (0.42) PTGS1
SCHEMBL1720277 0.75 L3MBTL3 (0.45) ALDH1A1KMT2A
SCHEMBL1719467 0.75 TDP2 (0.42)
SCHEMBL1720088 0.74 DHODH (0.44) XDH
SCHEMBL1719868 0.72 KMO (0.47) NPC1KMT2AKMO
SCHEMBL28846636 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2XDHGAANPC1
SCHEMBL1719478 0.71 XDH (0.50) ALDH1A1SMN1; SMN2XDHPIN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687844-B Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2013-11-13 CN disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
CN-101687844-A Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2010-03-31 CN disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 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 (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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 RXRA 472/4885RXRB 386/4885RXRG 440/4885

“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.