SCHEMBL5795672

SCHEMBL5795672

O=C(CCc1cnoc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(C[P]2(O)OCCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 7/20 0.39
YES1 P07947 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.37
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
GAA P10253 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
SCHEMBL5795651 0.92 MAPT (0.40) MAPTLMNAALDH1A1YES1KDR
SCHEMBL5800098 0.88 MCHR1 (0.43) MAPTLMNAYES1KDRJAK3
SCHEMBL5798611 0.88 MCHR1 (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5796443 0.88 MAPT (0.38) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5799418 0.84 GPR183 (0.36) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5796394 0.83 MCHR1 (0.37) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5796816 0.82 MAPT (0.47) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5799130 0.82 MCHR1 (0.34) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5799407 0.82 MCHR1 (0.35) MAPTLMNA
SCHEMBL5774259 0.79 ALDH1A1 (0.42) MAPTLMNAALDH1A1YES1KDR

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 2770/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885LMNA 2605/4885ALDH1A1 682/4885

“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.