SCHEMBL5777412

SCHEMBL5777412

CCNP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1)NCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 3/20 0.40
MCHR1 Q99705 1/20 0.39
ENPP2 Q13822 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5771359 0.86 MEN1 (0.40) KMT2AMEN1MAPTMCHR1ENPP2
SCHEMBL5770235 0.86 MCHR1 (0.40) KMT2AMEN1MAPTMCHR1GAA
SCHEMBL5774020 0.84 MAPT (0.42) KMT2AMEN1MAPTMCHR1CNR1
SCHEMBL5772294 0.83 ENPP2 (0.40) KMT2AMEN1MAPTMCHR1ENPP2
SCHEMBL5774956 0.82 MCHR1 (0.42) KMT2AMEN1MAPTMCHR1CNR1
SCHEMBL5771183 0.81 ROCK2 (0.45) KMT2AMEN1MAPTMCHR1GAA
SCHEMBL5770095 0.80 LTA4H (0.48) KMT2AMEN1MAPTMCHR1CNR1
SCHEMBL5777386 0.80 LMNA (0.47) KMT2AMEN1MAPTCNR2GAA
SCHEMBL5771355 0.80 MAPT (0.39) KMT2AMEN1MAPTMCHR1CNR1
SCHEMBL5770233 0.79 SMN1; SMN2 (0.40) KMT2AMEN1MAPTMCHR1CNR1

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 KMT2A 3907/4885MEN1 2811/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KMT2A 2906/4885MEN1 2072/4885MAPT 4763/4885

“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.