SCHEMBL7454098

SCHEMBL7454098

COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCn1cncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.50
TNF P01375 3/20 0.49
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
KDR P35968 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 1/20 0.38

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
SCHEMBL664005 0.85 HDAC6 (0.55) HDAC6TNFALDH1A1HDAC3HDAC4
SCHEMBL5562061 0.85 HDAC6 (0.55) HDAC6TNFALDH1A1HDAC3HDAC4
SCHEMBL4380672 0.85 HDAC6 (0.49) HDAC6TNFFGFR1FLT1KDR
SCHEMBL5499250 0.85 HDAC6 (0.49) HDAC6TNFFGFR1FLT1KDR
SCHEMBL7205402 0.84 HDAC6 (0.51) HDAC6TNFKDR
SCHEMBL2922474 0.84 TNF (0.54) HDAC6TNFALDH1A1HDAC3HDAC4
SCHEMBL4376874 0.83 HDAC6 (0.53) HDAC6TNFKDRHDAC3HDAC4
SCHEMBL7210734 0.83 HDAC6 (0.53) HDAC6TNFALDH1A1KDM4EHDAC3
SCHEMBL4381827 0.81 HDAC6 (0.51) HDAC6TNFALDH1A1HDAC3HDAC4
SCHEMBL4371036 0.81 HDAC6 (0.49) HDAC6TNFFGFR1FLT1KDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362336-B1 ADMINISTERING A QUINAZOLINE DERIVATIVE TO A WARM-BLOODED ANIMAL FOR PRODUCING AN ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT ZENECA LIMITED (GB) 2002-03-26 US disclosed
US-20020032208-A1 Chemical compounds ZENECA LIMITED 2002-03-14 US disclosed
EP-0873319-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-07-25 EP disclosed
US-6258951-B1 ANTICANCER, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 2001-07-10 US disclosed
US-6071921-A Chemical compounds ZENECA LIMITED (GB) 2000-06-06 US disclosed
US-5962458-A ANGIOGENESIS INHIBITORS, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, VISION DEFECTS ZENECA LIMITED (GB) 1999-10-05 US 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 (1 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-20020032208-A1 Chemical compounds FLT1, CNKSR1, KDR HDAC6 2039/4885TNF 295/4885FGFR1 95/4885

“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.