SCHEMBL5773693

SCHEMBL5773693

O=C(CCc1cnoc1-c1ccc(F)cc1)Nc1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.52
RAB9A P51151 4/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
CSNK1D P48730 2/20 0.49
SLC27A1 Q6PCB7 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL5775920 0.90 MAPT (0.51) ALDH1A1MAPTPOLBRAB9ANFKB1
SCHEMBL5777386 0.80 LMNA (0.47) ALDH1A1MAPTPOLBKDM4EHTT
SCHEMBL5771249 0.78 RAB9A (0.51) ALDH1A1MAPTPOLBRAB9ANPC1
SCHEMBL5776152 0.78 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5775470 0.75 CNR2 (0.52) MAPTPOLBKDM4EHDAC1HDAC2
SCHEMBL5773375 0.75 ALDH1A1 (0.56) ALDH1A1MAPTPOLBRAB9ANFKB1
SCHEMBL5772947 0.75 MGLL (0.47) MAPTHTTHDAC1HDAC2HDAC3
SCHEMBL5771183 0.75 ROCK2 (0.45) ALDH1A1MAPTPOLBHTTHDAC1
SCHEMBL5774072 0.74 LMNA (0.54) ALDH1A1MAPTPOLBRAB9AKDM4E
SCHEMBL5771473 0.73 L3MBTL1 (0.49) ALDH1A1MAPTPOLBKDM4EHDAC1

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 ALDH1A1 1045/4885MAPT 4701/4885POLB 3996/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885MAPT 4763/4885POLB 3909/4885

“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.