SCHEMBL4302001

SCHEMBL4302001

CN(C(=O)c1cccnc1OC(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 2/20 0.43
NR1H3 Q13133 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
DHODH Q02127 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H2 P55055 1/20 0.40
MEN1 O00255 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL16487052 0.85 KMT2A (0.53) KMT2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL4307224 0.81 POLB (0.51) KMT2APOLBKDM4EALDH1A1NR1H3
SCHEMBL18816705 0.80 POLB (0.54) KMT2APOLBKDM4ENR1H3NR1H2
SCHEMBL10977484 0.79 P2RY1 (0.55) KMT2AKDM4EGPBAR1MEN1RXFP1
SCHEMBL2301749 0.78 DHODH (0.57) KMT2AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL30087468 0.78 DHODH (0.57) KMT2AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL12300200 0.76 POLB (0.64) KMT2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL3137908 0.75 GPBAR1 (0.72) KMT2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL11243535 0.75 GPBAR1 (0.44) KMT2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL27313359 0.74 TDP1 (0.61) POLBKDM4EALDH1A1L3MBTL1LMNA

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-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed

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 KMT2A 3076/4885POLB 1234/4885KDM4E 4402/4885

“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.