SCHEMBL5774587

SCHEMBL5774587

O=[N+]([O-])c1ccc(-c2oncc2CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.38
GYS1 P13807 1/20 0.38
APP P05067 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL5772675 0.86 TSHR (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL5775120 0.82 PPARG (0.46) KMT2AMEN1CYP1A2MAPTALDH1A1
SCHEMBL5770213 0.78 MAPT (0.44) KMT2AMEN1CYP2C19MAPTALDH1A1
SCHEMBL3549592 0.76 TDP1 (0.46) KMT2AMEN1CYP3A4MAPTLMNA
SCHEMBL5775491 0.76 PPARA (0.45) KMT2AMEN1CYP2C19GAANPC1
SCHEMBL5775970 0.76 TDO2 (0.51) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL5773578 0.72 MAPK13 (0.36) KMT2AMEN1CYP2C19MAPTKDM4E
SCHEMBL5774677 0.72 MAPT (0.53) MAPTKDM4EALDH1A1GAANPC1
SCHEMBL3552361 0.72 HPGD (0.43) KMT2ACYP1A2CYP2C19MAPTLMNA
SCHEMBL1167896 0.72 MEN1 (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C19

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 KMT2A 3907/4885MEN1 2811/4885CYP1A2 68/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KMT2A 2906/4885MEN1 2072/4885CYP1A2 74/4885

“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.