SCHEMBL6003023

SCHEMBL6003023

Cc1ccc(NC(=O)CCO)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.70
HDAC3 O15379 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC4 P56524 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
NCOR2 Q9Y618 1/20 0.64
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
TP53 P04637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL14578751 0.90 POLB (0.85) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL517697 0.86 HDAC3 (0.86) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL8361539 0.84 TP53 (0.75) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL6003020 0.84 POLB (0.70) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL2093671 0.83 POLB (0.76) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL8141144 0.83 POLB (1.00) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL6660579 0.82 POLB (0.68) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL16438781 0.82 POLB (0.68) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL3031716 0.82 POLB (0.68) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL1107145 0.82 MAPT (0.74) POLBHDAC3HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed
WO-2022203930-A9 FLUOROGENIC CYANINE CARBAMATES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-04-27 WO disclosed
US-20210070690-A1 CATALYST FOR CONVERTING ESTER TO AMIDE USING HYDROXYL GROUP AS ORIENTATION GROUP CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2021-03-11 US disclosed
EP-3466922-A1 CATALYST FOR CONVERTING ESTER TO AMIDE USING HYDROXYL GROUP AS ORIENTATION GROUP Chubu University Educational Foundation (JP) 2019-04-10 EP disclosed
US-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (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-20210070690-A1 CATALYST FOR CONVERTING ESTER TO AMIDE USING HYDROXYL GROUP AS ORIENTATION GROUP EBP, NR1H3, APEH POLB 2464/4885HDAC3 1162/4885HDAC1 1193/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 POLB 4575/4885HDAC3 2281/4885HDAC1 1051/4885

“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.