SCHEMBL5771066

SCHEMBL5771066

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.47
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RORC P51449 1/20 0.44
ROCK2 O75116 1/20 0.43
LMNA P02545 4/20 0.43
MCHR1 Q99705 3/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
THRB P10828 1/20 0.43
PIM1 P11309 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL5773606 0.92 MAPT (0.48) MLYCDTP53MAPTSMN1; SMN2RORC
SCHEMBL5771183 0.89 ROCK2 (0.45) MAPTSMN1; SMN2ROCK2LMNAMCHR1
SCHEMBL5773332 0.87 CNR2 (0.51) MLYCDTP53MAPTSMN1; SMN2LMNA
SCHEMBL5774003 0.84 MGLL (0.50) TP53MAPTSMN1; SMN2LMNAHTT
Trifluoroacetic Acid SCHEMBL5771101 0.84 TP53 (0.46) TP53MAPTSMN1; SMN2LMNAHTT
SCHEMBL5775672 0.83 MAPT (0.50) TP53MAPTSMN1; SMN2LMNAMCHR1
SCHEMBL5771411 0.83 TP53 (0.54) TP53MAPTSMN1; SMN2LMNAHTT
SCHEMBL5772907 0.82 TP53 (0.49) TP53MAPTSMN1; SMN2LMNAMCHR1
SCHEMBL5772904 0.82 TP53 (0.48) TP53MAPTSMN1; SMN2LMNAMCHR1
SCHEMBL5776826 0.81 CNR2 (0.48) TP53MAPTSMN1; SMN2LMNAMCHR1

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 MLYCD 1111/4885TP53 4371/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MLYCD 818/4885TP53 4446/4885MAPT 4763/4885

“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.