Sugi Predict

Sugi Predict / Compounds / SCHEMBL247987

SCHEMBL247987

SCHEMBL247987

CC(=O)Nc1ccc(C(=O)Nc2ccccc2N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.57
▸ APBA1 Q02410 1/20 0.57
▸ HDAC1 Q13547 9/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NAPRT Q6XQN6 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ NCOR2 Q9Y618 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL2107514 0.84 HDAC1 (0.65) HDAC1ALDH1A1L3MBTL1HDAC3HDAC2
SCHEMBL2107673 0.82 NPC1 (0.42) HDAC1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL2107774 0.82 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2108610 0.82 HDAC1 (0.63) HDAC1ALDH1A1L3MBTL1HDAC3HDAC2
Bicarbonate SCHEMBL2109328 0.82 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2
SCHEMBL20657015 0.81 HDAC1 (0.46) HDAC1ALDH1A1L3MBTL1HDAC3HDAC2
SCHEMBL2442354 0.77 CACNA1B (0.47) CACNA1BAPBA1ALDH1A1L3MBTL1KMT2A
SCHEMBL12506291 0.77 CACNA1B (0.73) CACNA1BAPBA1HDAC1ALDH1A1L3MBTL1
SCHEMBL14932024 0.76 P2RY14 (0.47) HDAC1HDAC3HDAC2
SCHEMBL14701415 0.74 HPGD (0.70) CACNA1BAPBA1HDAC1ALDH1A1L3MBTL1

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-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-20130102677-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-04-25 — — US disclosed
WO-2012003413-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2012-01-05 — — 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 (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-20130102677-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, SLC10A1, ACAT2 CACNA1B 2629/4885APBA1 285/4885HDAC1 101/4885
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, SLC10A1, ACAT2 CACNA1B 2629/4885APBA1 285/4885HDAC1 101/4885
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, FAM162A, ACAT2 CACNA1B 2338/4885APBA1 170/4885HDAC1 82/4885

“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.