SCHEMBL5774865

SCHEMBL5774865

O=C(CCc1cnoc1-c1ccc(Cl)cc1)Nc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
POLB P06746 2/20 0.61
NOTUM Q6P988 1/20 0.54
MAPT P10636 2/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
KLF5 Q13887 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NAMPT P43490 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL5772665 0.83 NPC1 (0.52) LMNAPOLBNOTUMMAPTRAB9A
SCHEMBL5777386 0.77 LMNA (0.47) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL5770174 0.76 LMNA (0.41) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL5772923 0.76 TSHR (0.55) POLBMAPTALDH1A1PKM
SCHEMBL5773534 0.76 MAPT (0.42) LMNAPOLBMAPTRAB9ANPC1
SCHEMBL5776159 0.75 MAPT (0.52) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL5775544 0.75 LTA4H (0.48) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL5773537 0.75 MAPT (0.43) LMNAPOLBMAPTRAB9ANPC1
SCHEMBL5773606 0.75 MAPT (0.48) LMNAPOLBMAPTRAB9ANPC1
SCHEMBL5800095 0.74 MCHR1 (0.44) LMNAPOLBMAPTMEN1KMT2A

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 2770/4885POLB 3996/4885NOTUM 617/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885POLB 3909/4885NOTUM 1237/4885

“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.