SCHEMBL5776350

SCHEMBL5776350

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC4 P56524 6/20 0.51
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
HDAC1 Q13547 7/20 0.49
HDAC2 Q92769 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HDAC3 O15379 6/20 0.49
HDAC10 Q969S8 6/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.44

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
Trifluoroacetic Acid SCHEMBL5775470 0.89 CNR2 (0.52) MAPTKDM4EPOLBTDP1HDAC4
Trifluoroacetic Acid SCHEMBL5776422 0.86 MCHR1 (0.46) MAPTPOLBHDAC4HDAC1HDAC2
SCHEMBL5773606 0.85 MAPT (0.48) MAPTKDM4EPOLBCNR2HDAC1
SCHEMBL5775672 0.83 MAPT (0.50) MAPTPOLBCNR2MEN1KMT2A
SCHEMBL5773332 0.82 CNR2 (0.51) MAPTCNR1CNR2MEN1KMT2A
SCHEMBL848086 0.82 MCHR1 (0.62) HDAC4CNR1CNR2HDAC1HDAC2
SCHEMBL5774003 0.82 MGLL (0.50) MAPTHDAC4HDAC1HDAC2HDAC6
SCHEMBL5773119 0.80 MAPT (0.55) MAPTPOLBCNR2MEN1KMT2A
SCHEMBL5771066 0.80 MLYCD (0.47) MAPTKDM4ECNR2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5770756 0.80 HDAC6 (0.42) MAPTKDM4EPOLBTDP1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR MAPT 4701/4885KDM4E 3953/4885POLB 3996/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885KDM4E 3347/4885POLB 3909/4885

“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.