SCHEMBL5772362

SCHEMBL5772362

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1ccnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.43
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 1/20 0.39
HDAC1 Q13547 1/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MLYCD O95822 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5773849 0.90 NTRK1 (0.45) NTRK1MAPTKMT2AALDH1A1MEN1
SCHEMBL5773606 0.83 MAPT (0.48) MAPTKMT2AALDH1A1MEN1TSHR
SCHEMBL5772042 0.79 HDAC1 (0.48) MAPTKMT2AALDH1A1MEN1TSHR
SCHEMBL5771066 0.78 MLYCD (0.47) MAPTKMT2AALDH1A1MEN1TSHR
SCHEMBL5774003 0.78 MGLL (0.50) MAPTKMT2AALDH1A1MEN1TSHR
Trifluoroacetic Acid SCHEMBL5771101 0.78 TP53 (0.46) MAPTKMT2AALDH1A1MEN1TSHR
SCHEMBL5775672 0.77 MAPT (0.50) MAPTKMT2AALDH1A1MEN1TSHR
Trifluoroacetic Acid SCHEMBL5772665 0.77 NPC1 (0.52) MAPTALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL5773332 0.76 CNR2 (0.51) MAPTKMT2AMEN1L3MBTL1TP53
SCHEMBL5774001 0.76 FFAR1 (0.49) HDAC1MLYCD

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 NTRK1 4287/4885MAPT 4701/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NTRK1 4129/4885MAPT 4763/4885KMT2A 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.