SCHEMBL1852946

SCHEMBL1852946

COc1ccc(-c2cc(NC(=O)CCCCBr)[nH]n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.53
HDAC2 Q92769 9/20 0.53
HDAC8 Q9BY41 8/20 0.53
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ALPL P05186 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA9 Q16790 1/20 0.49
ACR P10323 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ADORA3 P0DMS8 1/20 0.47
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47

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
SCHEMBL7922566 0.83 MAPT (0.59) HDAC1HDAC2HDAC8MAPTLMNA
SCHEMBL2055594 0.82 CHRNA3 (0.70) CHRNA3
SCHEMBL2055729 0.82 CHRNA3 (0.68) MAPTALDH1A1CHRNA3
SCHEMBL2055629 0.81 CHRNA3 (0.69) CHRNA3
SCHEMBL4434945 0.81 MAPT (0.49) HDAC1HDAC2HDAC8MAPTLMNA
SCHEMBL2055628 0.81 CHRNA3 (0.69) MAPTALDH1A1CHRNA3
SCHEMBL1856806 0.81 CHRNA3 (0.69) MAPTALDH1A1CHRNA3
SCHEMBL2055598 0.81 CHRNA3 (0.71) L3MBTL1CHRNA3
SCHEMBL1856137 0.80 CHRNA3 (0.70) CHRNA3
SCHEMBL2055633 0.79 CHRNA3 (0.67) L3MBTL1CHRNA3

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-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
WO-2009091813-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-23 WO disclosed
US-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-16 US disclosed
US-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-16 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-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA2, CHRNA6 HDAC1 701/4885HDAC2 899/4885HDAC8 511/4885

“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.