SCHEMBL14701415

SCHEMBL14701415

CC(=O)Nc1ccc(C(=O)Nc2ccccc2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.70
POLB P06746 2/20 0.70
CACNA1B Q00975 1/20 0.68
APBA1 Q02410 1/20 0.68
ALDH1A1 P00352 3/20 0.66
HDAC1 Q13547 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
NAMPT P43490 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL9055150 0.88 HPGD (0.89) HPGDPOLBALDH1A1HDAC1SMN1; SMN2
SCHEMBL12506291 0.87 CACNA1B (0.73) HPGDPOLBCACNA1BAPBA1ALDH1A1
SCHEMBL10198780 0.84 CACNA1B (0.68) CACNA1BAPBA1ALDH1A1HDAC1KMT2A
SCHEMBL3690383 0.83 POLB (0.79) HPGDPOLBALDH1A1SMN1; SMN2NPC1
N-O-Tolylbenzamide SCHEMBL3223289 0.83 HPGD (1.00) HPGDPOLBALDH1A1HDAC1NPC1
SCHEMBL14299600 0.83 CACNA1B (0.66) CACNA1BAPBA1ALDH1A1HDAC1KMT2A
Tacedinaline SCHEMBL29482198 0.83 HDAC1 (0.74) CACNA1BAPBA1HDAC1
Tacedinaline SCHEMBL144794 0.83 HDAC1 (0.74) CACNA1BAPBA1HDAC1
SCHEMBL2606722 0.82 HDAC1 (0.59) HPGDPOLBCACNA1BAPBA1HDAC1
SCHEMBL10357487 0.82 CACNA1B (0.65) HPGDPOLBCACNA1BAPBA1ALDH1A1

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-9266822-B2 Solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2014-09-18 US disclosed
US-8729130-B2 Methods of using novel solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2014-05-20 US disclosed
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-06-13 US disclosed
US-20130039998-A1 COMPOSITIONS OF MODULATORS OF THE WNT/BETA-CATENIN PATHWAY AND BENZAMIDE AND/OR HYDROXAMIC ACID DERIVATIVES TO TREAT BIPOLAR DISORDER UNIVERSITY OF WASHINGTON (US) 2013-02-14 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 (3 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-20130039998-A1 COMPOSITIONS OF MODULATORS OF THE WNT/BETA-CATENIN PATHWAY AND BENZAMIDE AND/OR HYDROXAMIC ACID DERIVATIVES TO TREAT BIPOLAR DISORDER GSK3A, GSK3B, WNT3A HPGD 1334/4885POLB 3465/4885CACNA1B 1205/4885
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, SLC10A1, ACAT2 HPGD 3659/4885POLB 2229/4885CACNA1B 2629/4885
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, FAM162A, ACAT2 HPGD 4017/4885POLB 1675/4885CACNA1B 2338/4885

“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.