SCHEMBL5776490

SCHEMBL5776490

O=C(CCc1cnoc1-c1ccccc1)NCCc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GSK3B P49841 1/20 0.59
GFER P55789 1/20 0.58
MTNR1A P48039 2/20 0.57
AANAT Q16613 1/20 0.56
CDK4 P11802 2/20 0.54
CCND1 P24385 2/20 0.54
GOT1 P17174 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL5770689 0.92 CDK4 (0.58) MEN1KMT2AGSK3BGFERMTNR1A
SCHEMBL7677886 0.83 MEN1 (0.84) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9117842 0.79 MEN1 (0.76) MEN1KMT2AGSK3BGFERMTNR1A
SCHEMBL7852879 0.79 GFER (0.84) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9303912 0.78 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL7849865 0.78 MEN1 (0.74) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL918964 0.78 MEN1 (0.78) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL918966 0.78 MEN1 (0.78) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL5775645 0.77 MAPT (0.45) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL761481 0.76 MTNR1A (0.88) MEN1KMT2AGFERMTNR1AAANAT

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 MEN1 2811/4885KMT2A 3907/4885GSK3B 1517/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MEN1 2072/4885KMT2A 2906/4885GSK3B 2013/4885

“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.