SCHEMBL13670589

SCHEMBL13670589

N#CNCCCCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.58
HDAC8 Q9BY41 9/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
FFAR1 O14842 1/20 0.53
CYP1A2 P05177 1/20 0.53
RAB9A P51151 1/20 0.53
HIF1A Q16665 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.51
HPGD P15428 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL13670591 0.78 HDAC1 (0.60) HDAC1HDAC8SMN1; SMN2LMNAFFAR1
SCHEMBL3809685 0.77 SMN1; SMN2 (0.79) HDAC1HDAC8SMN1; SMN2LMNAFFAR1
SCHEMBL13670590 0.77 HDAC1 (0.55) HDAC1HDAC8SMN1; SMN2LMNAFFAR1
SCHEMBL4449883 0.76 HDAC1 (0.66) HDAC1HDAC8SMN1; SMN2LMNAFFAR1
SCHEMBL3383104 0.76 HDAC8 (0.79) HDAC1HDAC8SMN1; SMN2LMNAFFAR1
SCHEMBL3381623 0.76 HDAC8 (0.79) HDAC1HDAC8SMN1; SMN2LMNAFFAR1
SCHEMBL13670592 0.75 HDAC1 (0.57) HDAC1HDAC8SMN1; SMN2LMNAFFAR1
SCHEMBL4443771 0.74 HDAC8 (0.69) HDAC1HDAC8SMN1; SMN2LMNAFFAR1
SCHEMBL4453789 0.74 L3MBTL1 (0.77) HDAC1HDAC8SMN1; SMN2LMNAFFAR1
SCHEMBL6610437 0.74 HDAC1 (0.64) HDAC1HDAC8SMN1; SMN2LMNAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 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 (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-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 HDAC1 109/4885HDAC8 34/4885SMN1; SMN2 3288/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 HDAC1 499/4885HDAC8 1430/4885SMN1; SMN2 4402/4885

“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.