SCHEMBL5772913

SCHEMBL5772913

CCOC(=O)c1cnoc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MLYCD O95822 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
DHODH Q02127 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL5773089 0.86 DHODH (0.46) MAPTKDM4EMLYCDNPC1RAB9A
SCHEMBL11375672 0.85 MAPT (0.53) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11384351 0.85 ALDH1A1 (0.48) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5773388 0.85 TARBP2 (0.48) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL343836 0.83 HTT (0.50) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5771735 0.83 ALDH1A1 (0.50) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL10668171 0.83 SMN1; SMN2 (0.52) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6502372 0.82 TSHR (0.53) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5776864 0.82 GAA (0.51) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5774574 0.81 ALDH1A1 (0.43) MAPTKDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243406-A REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE MONSANTO COMPANY (US) 1981-01-06 US claimed
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
US-4731109-A Herbicidal 2-haloacetanilides MONSANTO COMPANY (US) 1988-03-15 US disclosed
US-4243406-A REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE MONSANTO COMPANY (US) 1981-01-06 US 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 3953/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885KDM4E 3347/4885MEN1 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.