SCHEMBL5772972

SCHEMBL5772972

O=C(CCc1cnoc1-c1ccc(F)cc1)Nc1ccc2c(c1)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.50
NPC1 O15118 10/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MAPK1 P28482 2/20 0.42
NOD2 Q9HC29 1/20 0.42

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
SCHEMBL5773105 0.89 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL5777386 0.81 LMNA (0.47) SMN1; SMN2MEN1KMT2AHTTMAPK1
SCHEMBL5772947 0.80 MGLL (0.47) MEN1KMT2AHTTMAPK1
SCHEMBL5773332 0.79 CNR2 (0.51) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL5776674 0.78 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL5771183 0.78 ROCK2 (0.45) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL5798605 0.77 MCHR1 (0.43) MEN1KMT2AKDM4EALDH1A1
SCHEMBL5798599 0.76 MCHR1 (0.43) SMN1; SMN2MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL5798611 0.76 MCHR1 (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5773575 0.75 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

“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.