SCHEMBL5774887

SCHEMBL5774887

Cc1ccc(-c2oncc2CCl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 1/20 0.35
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
MEN1 O00255 3/20 0.33
AOC3 Q16853 2/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
TDP1 Q9NUW8 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL1796231 0.81 TDO2 (0.42) CYP19A1CYP2C9CYP2C19PPARALMNA
SCHEMBL5775812 0.81 CYP19A1 (0.34) CYP19A1CYP2C9CYP2C19PPARALMNA
SCHEMBL5775635 0.78 MEN1 (0.39) CYP2C9CYP2C19LMNAKMT2ANPSR1
SCHEMBL5774918 0.77 CYP19A1 (0.39) CYP19A1CYP2C9CYP2C19PPARALMNA
SCHEMBL5772507 0.74 RXRA (0.50) CYP2C19PPARALMNAPKMKMT2A
SCHEMBL5773406 0.71 CCNC (0.44) CYP19A1CYP2C9CYP2C19PPARAKMT2A
SCHEMBL5775817 0.70 GRIN2B (0.32)
SCHEMBL3311478 0.70
SCHEMBL3546257 0.69 RAB9A (0.38) CYP19A1CYP2C9CYP2C19LMNAKMT2A
SCHEMBL3970960 0.68 RAB9A (0.48) CYP19A1CYP2C9CYP2C19LMNAPKM

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 CYP19A1 117/4885CYP2C9 30/4885CYP2C19 28/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP19A1 62/4885CYP2C9 45/4885CYP2C19 34/4885

“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.