SCHEMBL7483576

SCHEMBL7483576

CCNC(=O)CCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.69
HDAC1 Q13547 2/20 0.66
HDAC3 O15379 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
LMNA P02545 3/20 0.65
PKM P14618 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
TRPV1 Q8NER1 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 1/20 0.60
TSHR P16473 1/20 0.59

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
SCHEMBL28764825 0.93 HDAC1 (0.68) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL10925762 0.93 HDAC1 (0.68) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL13626338 0.93 HDAC1 (0.68) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL11691718 0.90 HDAC2 (0.63) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL2524341 0.89 HPGD (0.68) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL1928392 0.86 LMNA (0.70) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL19020367 0.85 EPHX2 (0.65) HPGDL3MBTL1
SCHEMBL3435489 0.84 TRPV1 (0.84) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13073412 0.84 HDAC3 (0.78) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL7201053 0.84 L3MBTL1 (0.89) HPGDHDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220655-A1 METHODS TO OVERCOME DRUG RESISTANCE BY RE-SENSITIZING CANCER CELLS TO TREATMENT WITH A PRIOR THERAPY VIA TREATMENT WITH A T CELL THERAPY CELGENE CORPORATION (US) 2023-11-16 WO disclosed
WO-2023209191-A1 PREP BINDING LIGANDS UNIVERSITY OF HELSINKI (FI) 2023-11-02 WO disclosed
US-11040951-B2 Methods and compositions relating to genotoxin colibactin PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
EP-3299463-B1 ENZYMATIC ENCODING NUEVOLUTION AS (DK) 2020-10-21 EP disclosed
US-20200055836-A1 METHODS AND COMPOSITIONS RELATING TO GENOTOXIN COLIBACTIN PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-02-20 US disclosed
EP-3299463-A2 ENZYMATIC ENCODING Nuevolution A/S (DK) 2018-03-28 EP disclosed
EP-2348125-B1 Method for the synthesis of a bifunctional complex NUEVOLUTION AS (DK) 2017-06-21 EP disclosed
US-8206901-B2 Method for the synthesis of a bifunctional complex NUEVOLUTION A/S (DK) 2012-06-26 US disclosed
US-8206901-B2 Method for the synthesis of a bifunctional complex NUEVOLUTION A/S (DK) 2012-06-26 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
EP-2348124-A2 Synthesis of a bifunctional complex Nuevolution A/S (DK) 2011-07-27 EP disclosed
EP-2348125-A2 Method for the synthesis of a bifunctional complex Nuevolution A/S (DK) 2011-07-27 EP disclosed
EP-1558744-B1 ENZYMATIC ENCODING NUEVOLUTION AS (DK) 2011-06-15 EP disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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 (6 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC HPGD 1640/4885HDAC1 1968/4885HDAC3 3667/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 HPGD 842/4885HDAC1 2198/4885HDAC3 1900/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK HPGD 1144/4885HDAC1 2631/4885HDAC3 2934/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 HPGD 842/4885HDAC1 2198/4885HDAC3 1900/4885
US-20200055836-A1 METHODS AND COMPOSITIONS RELATING TO GENOTOXIN COLIBACTIN CACYBP, MYCBP, CLSPN HPGD 1849/4885HDAC1 4045/4885HDAC3 3719/4885
US-11040951-B2 Methods and compositions relating to genotoxin colibactin CACYBP, MYCBP, CLSPN HPGD 1849/4885HDAC1 4045/4885HDAC3 3719/4885

“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.