SCHEMBL5772042

SCHEMBL5772042

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
MAOB P27338 1/20 0.42
ALOX15 P16050 1/20 0.41
TP53 P04637 2/20 0.40
KIF11 P52732 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5771249 0.89 RAB9A (0.51) HDAC1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5773606 0.86 MAPT (0.48) HDAC1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5772043 0.84 L3MBTL1 (0.46) HDAC1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL5773332 0.83 CNR2 (0.51) SMN1; SMN2NPC1RAB9AL3MBTL1MEN1
SCHEMBL5775672 0.82 MAPT (0.50) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL5777404 0.82 ALDH1A1 (0.42) HDAC1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5774003 0.81 MGLL (0.50) HDAC1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL5771066 0.81 MLYCD (0.47) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL5775920 0.79 MAPT (0.51) HDAC1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5772362 0.79 NTRK1 (0.43) HDAC1SMN1; SMN2ALDH1A1TSHRL3MBTL1

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 HDAC1 353/4885SMN1; SMN2 3383/4885NPC1 2417/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HDAC1 184/4885SMN1; SMN2 2449/4885NPC1 1770/4885

“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.