SCHEMBL5769963

SCHEMBL5769963

CCOC(=O)c1conc1-c1ccc(F)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
TEAD2 Q15562 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
JAK3 P52333 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL5771314 0.86 TEAD2 (0.48) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL5773232 0.83 TEAD2 (0.46) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL1776614 0.82 KDM4E (0.51) MEN1NPC1KMT2AL3MBTL1KDM4E
SCHEMBL3978092 0.81 JAK2 (0.55) MEN1KMT2AATML3MBTL1USP2
SCHEMBL2929533 0.80 SMN1; SMN2 (0.52) MEN1NPC1KMT2APOLBKDM4E
SCHEMBL5774923 0.79 TEAD2 (0.54) KDM4EALDH1A1SMN1; SMN2HPGDTEAD2
SCHEMBL24013548 0.79 TSHR (0.45) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL30227818 0.79 TSHR (0.45) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL8163709 0.78 TSHR (0.44) ATMKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL11395576 0.78 JAK2 (0.55) KMT2AL3MBTL1KDM4EALDH1A1SMN1; SMN2

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 2811/4885NPC1 2417/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MEN1 2072/4885NPC1 1770/4885KMT2A 2906/4885

“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.