SCHEMBL5774258

SCHEMBL5774258

CC(C)(c1ccc(NC(=O)CCc2cnoc2-c2ccc([N+](=O)[O-])cc2)cc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.37
TP53 P04637 3/20 0.37
YES1 P07947 1/20 0.37
KDR P35968 1/20 0.37
JAK3 P52333 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36

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
SCHEMBL5773482 0.90 MAPT (0.40) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5775516 0.88 MAPT (0.41) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5773534 0.87 MAPT (0.42) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5770233 0.87 SMN1; SMN2 (0.40) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5772904 0.87 TP53 (0.48) MAPTLMNASMN1; SMN2HTTTP53
SCHEMBL5770770 0.87 MLYCD (0.41) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5773273 0.85 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL5773488 0.83 MAPT (0.38) MAPTLMNASMN1; SMN2HTTTP53
SCHEMBL5775978 0.83 MAPT (0.41) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5773840 0.81 MAPT (0.43) MAPTLMNASMN1; SMN2ALDH1A1MAPK1

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 4701/4885LMNA 2770/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885LMNA 2605/4885MEN1 2072/4885

“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.