SCHEMBL5774072

SCHEMBL5774072

O=C(CCc1cnoc1-c1ccc(F)cc1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRB P10828 1/20 0.44
MEN1 O00255 2/20 0.44
ENPP2 Q13822 1/20 0.44
MAPT P10636 1/20 0.44
GRIN2B Q13224 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5773900 0.90 CYP1A2 (0.52) ALDH1A1RAB9AKMT2AKDM4EHPGD
SCHEMBL5773717 0.88 L3MBTL1 (0.52) LMNAALDH1A1RAB9AKMT2AGAA
SCHEMBL5775471 0.87 HDAC3 (0.46) LMNARAB9AKMT2AHTTHPGD
Trifluoroacetic Acid SCHEMBL5771828 0.87 GSK3B (0.42) LMNAALDH1A1KMT2AGAATSHR
Trifluoroacetic Acid SCHEMBL5773317 0.86 CYP3A4 (0.53) LMNAALDH1A1KMT2AGAAHTT
SCHEMBL5777386 0.84 LMNA (0.47) LMNAALDH1A1KMT2AGAAHTT
SCHEMBL5772933 0.84 ALDH1A1 (0.52) ALDH1A1RAB9AKMT2AGAATSHR
SCHEMBL5771183 0.83 ROCK2 (0.45) LMNAALDH1A1KMT2AGAAHTT
SCHEMBL5776524 0.83 EPHX2 (0.43) CYP2C9CYP2C19POLB
SCHEMBL5776871 0.82 KMT2A (0.53) LMNARAB9AKMT2ATSHRHTT

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 LMNA 2770/4885ALDH1A1 1045/4885RAB9A 3076/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885ALDH1A1 682/4885RAB9A 3507/4885

“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.