SCHEMBL5773637

SCHEMBL5773637

O=C(N(CCCc1cnoc1-c1ccc(F)cc1)CCCn1ccnc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
POLB P06746 1/20 0.40
NAMPT P43490 4/20 0.40
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
QPCT Q16769 3/20 0.37
TBXAS1 P24557 2/20 0.37
IDE P14735 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL5772669 0.92 NOS1 (0.42) HDAC4HDAC6QPCTTBXAS1
SCHEMBL5773577 0.82 NAMPT (0.35) NAMPTHDAC4
SCHEMBL5773350 0.81 TSHR (0.40)
SCHEMBL5774298 0.81 TSHR (0.42) ALOX15
SCHEMBL5777440 0.81 HDAC8 (0.35) HDAC4
SCHEMBL5773778 0.80 PLA2G7 (0.36) HDAC4HDAC6
SCHEMBL5771831 0.80 HDAC8 (0.34) NAMPT
SCHEMBL5775676 0.80 PLA2G7 (0.37) HDAC4HDAC6
SCHEMBL5771361 0.80 NAMPT (0.42) NAMPTTBXAS1
Trifluoroacetic Acid SCHEMBL5773631 0.79 POLB (0.48) POLBNAMPTHDAC4HDAC6QPCT

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 117/4885POLB 3996/4885NAMPT 2451/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP19A1 62/4885POLB 3909/4885NAMPT 2378/4885

“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.