SCHEMBL16617320

SCHEMBL16617320

Cn1ncc(OC(F)(F)Br)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
NTRK1 P04629 1/20 0.33
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL18339396 0.78 ALDH1A1 (0.44) L3MBTL1HTTFLT1KDRKDM4E
SCHEMBL1357879 0.73 HTT (0.50) L3MBTL1HTTSMN1; SMN2LMNAGAA
SCHEMBL1431345 0.73 ASPH (0.39) L3MBTL1HTTSMN1; SMN2NTRK1FLT1
SCHEMBL31719628 0.70 PPARG (0.47) SMN1; SMN2GAA
SCHEMBL1432563 0.70 HTT (0.43) L3MBTL1HTTSMN1; SMN2KDM4EGAA
SCHEMBL31363015 0.69 SORT1 (0.39) L3MBTL1FLT1KDRKDM4EALDH1A1
SCHEMBL31363023 0.69 HTT (0.42) L3MBTL1HTTSMN1; SMN2LMNAHTR2A
SCHEMBL1758499 0.68 PKM (0.48) L3MBTL1HTR2AHTR2C
SCHEMBL68535 0.67 PDE10A (0.41) L3MBTL1HTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2212203 0.67 L3MBTL1 (0.39) L3MBTL1HTTSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 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-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 L3MBTL1 5/4885HTT 1096/4885SMN1; SMN2 2492/4885

“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.