SCHEMBL5771249

SCHEMBL5771249

O=C(CCc1cnoc1-c1ccc(F)cc1)Nc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL5772042 0.89 HDAC1 (0.48) RAB9ASMN1; SMN2NPC1L3MBTL1HDAC1
SCHEMBL5777386 0.86 LMNA (0.47) SMN1; SMN2HCAR2ALDH1A1MAPTGAA
SCHEMBL5771473 0.85 L3MBTL1 (0.49) SMN1; SMN2ATML3MBTL1HDAC1HDAC2
SCHEMBL5774014 0.81 KDM4E (0.44) SMN1; SMN2ATML3MBTL1HDAC1HDAC2
SCHEMBL5774012 0.81 HCAR2 (0.38) ATML3MBTL1HDAC1HDAC2HCAR2
SCHEMBL5771183 0.81 ROCK2 (0.45) SMN1; SMN2HDAC1HDAC2HCAR2ALDH1A1
SCHEMBL5772947 0.81 MGLL (0.47) HDAC1HDAC2HCAR2MAPTGAA
SCHEMBL5774072 0.80 LMNA (0.54) RAB9ASMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL5769962 0.79 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1HDAC1HDAC2
SCHEMBL5773900 0.79 CYP1A2 (0.52) RAB9ASMN1; SMN2NPC1L3MBTL1ALDH1A1

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 RAB9A 3076/4885SMN1; SMN2 3383/4885NPC1 2417/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 RAB9A 3507/4885SMN1; SMN2 2449/4885NPC1 1770/4885

“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.