SCHEMBL1864008

SCHEMBL1864008

COC(=O)c1c(C(F)(F)F)nn(C)c1CF

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 5/20 0.37
CYP2C19 P33261 5/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2D6 P10635 1/20 0.37
PLAT P00750 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.33

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
SCHEMBL1865236 0.85 PLAT (0.40) NPC1PKMKMT2AL3MBTL1CYP1A2
SCHEMBL1865999 0.83 PKM (0.40) NPC1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL841191 0.78 MEN1 (0.56) NPC1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL4625215 0.78 NPC1 (0.48) NPC1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL16626084 0.71 PKM (0.50) NPC1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL18740019 0.70 GAA (0.38) NPC1PKMGAAPLATPOLB
SCHEMBL6606222 0.69 NPC1 (0.39) NPC1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL18740293 0.68 GAA (0.36) NPC1PKMGAAALDH1A1PLAT
SCHEMBL8787277 0.68 KMT2A (0.44) NPC1PKMKMT2ASMN1; SMN2L3MBTL1
SCHEMBL28753841 0.68 NPC1 (0.41) NPC1PKMMEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939673-B2 Process for preparing 3-dihalomethyl-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2011-05-10 US disclosed
US-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-12-31 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-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES HRH4, SUV39H2, SUV39H1 NPC1 4852/4885PKM 604/4885MEN1 1916/4885

“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.