SCHEMBL5772043

SCHEMBL5772043

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 3/20 0.46
ATM Q13315 1/20 0.46
ADRA2C P18825 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 1/20 0.43
HDAC1 Q13547 1/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5771473 0.91 L3MBTL1 (0.49) L3MBTL1POLBATMADRA2CKMT2A
SCHEMBL5772042 0.84 HDAC1 (0.48) L3MBTL1POLBKMT2AALDH1A1TSHR
SCHEMBL5773606 0.83 MAPT (0.48) L3MBTL1POLBKMT2AALDH1A1TSHR
SCHEMBL5773332 0.78 CNR2 (0.51) L3MBTL1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL5771066 0.78 MLYCD (0.47) L3MBTL1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL5774003 0.78 MGLL (0.50) L3MBTL1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL5773119 0.78 MAPT (0.55) L3MBTL1POLBKMT2AALDH1A1TSHR
SCHEMBL5775672 0.77 MAPT (0.50) L3MBTL1POLBKMT2AALDH1A1TSHR
SCHEMBL5777404 0.77 ALDH1A1 (0.42) L3MBTL1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL5771411 0.77 TP53 (0.54) ATMKMT2AMEN1SMN1; SMN2TP53

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 L3MBTL1 2718/4885POLB 3996/4885ATM 2107/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 L3MBTL1 1898/4885POLB 3909/4885ATM 2206/4885

“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.