SCHEMBL5776001

SCHEMBL5776001

Cc1cc(-c2oncc2CO)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
PPARA Q07869 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
KCNH2 Q12809 2/20 0.34
PTGS2 P35354 2/20 0.34
ABL1 P00519 1/20 0.34
GRIN2B Q13224 3/20 0.34
GRIN1 Q05586 2/20 0.34
S1PR1 P21453 2/20 0.33

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
SCHEMBL5774717 0.88 AHR (0.41) MEN1KMT2AMAPTPOLB
SCHEMBL5772390 0.87 KMO (0.36) MEN1KMT2AKCNH2ABL1
SCHEMBL5773091 0.86 MAPT (0.38) MEN1KMT2AMAPTTSHRNPY1R
SCHEMBL5774149 0.86 SIRT2 (0.38) MEN1KMT2AMAPTTSHRNPY1R
SCHEMBL5777173 0.84 NOTUM (0.36) MEN1KMT2APPARAS1PR1
SCHEMBL5768932 0.81 FFAR1 (0.43) MAPTTSHRPPARA
SCHEMBL5770454 0.81 RPA1 (0.38) HPGDKCNH2PTGS2PTGS1
SCHEMBL5775001 0.78 CCNC (0.42) MEN1KMT2AMAPTTSHRNPY1R
SCHEMBL5776120 0.77 TDO2 (0.49) TSHRPOLBPTGS2PTGS1ALOX5
SCHEMBL5774711 0.76 RXRA (0.34) MEN1KMT2A

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 MEN1 2811/4885KMT2A 3907/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MEN1 2072/4885KMT2A 2906/4885MAPT 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.