SCHEMBL3972856

SCHEMBL3972856

[c]1ccc(-c2ccc(CNCC3CCCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.55
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HRH3 Q9Y5N1 2/20 0.47
CXCR4 P61073 3/20 0.47
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCL12 P48061 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
OXTR P30559 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
SCHEMBL5163891 0.90 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL13792281 0.83 RAB9A (0.56) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL5872370 0.81 CXCR4 (0.47) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL3861590 0.78 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL7248082 0.77 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL3085761 0.77 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL8041968 0.77 SMN1; SMN2 (0.65) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL18088394 0.77 RAB9A (0.60) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL10764797 0.76 CXCR4 (0.63) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL7603669 0.76 CXCR4 (0.63) HDAC6HDAC1HDAC3HDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO 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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 HDAC6 3491/4885HDAC1 3231/4885HDAC3 1982/4885

“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.