SCHEMBL16489358

SCHEMBL16489358

COc1ccc(-c2nc(C(=O)NCCO)cc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.81
HDAC2 Q92769 8/20 0.81
HDAC3 O15379 7/20 0.81
HDAC4 P56524 7/20 0.81
HDAC7 Q8WUI4 7/20 0.81
HDAC10 Q969S8 7/20 0.81
HDAC11 Q96DB2 7/20 0.81
HDAC8 Q9BY41 7/20 0.81
HDAC6 Q9UBN7 7/20 0.81
HDAC9 Q9UKV0 7/20 0.81
HDAC5 Q9UQL6 7/20 0.81
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
NQO1 P15559 1/20 0.66
MITF O75030 1/20 0.65
POLB P06746 1/20 0.65
RAD52 P43351 1/20 0.65
ACHE P22303 1/20 0.64
MGAM O43451 1/20 0.63
STAT3 P40763 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
Hydrochloric Acid SCHEMBL16470737 0.99 HDAC1 (0.80) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL18061333 0.93 HDAC1 (0.80) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12967988 0.92 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL18241557 0.92 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL18254526 0.91 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16489355 0.91 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12967462 0.91 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL16470155 0.90 HDAC1 (0.75) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16489345 0.90 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL16470848 0.89 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC4HDAC7

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
EP-3595660-B1 COMPOUNDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF NON-ALCOHOLIC FAT LIVER DISEASE AND NON-ALCOHOLIC STEATOHEPATITIS SJT MOLECULAR RES SL (ES) 2023-07-05 EP disclosed
US-10857136-B2 Compounds for use in the prevention and/or treatment of non-alcoholic fat liver disease and non-alcoholic steatohepatitis SJT MOLECULAR RESEARCH, SL (ES) 2020-12-08 US disclosed
US-20160340355-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME SJT MOLECULAR RES S L (ES) 2016-11-24 US disclosed
US-20160340355-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME SJT MOLECULAR RES S L (ES) 2016-11-24 US disclosed
US-9440966-B2 Compounds for treatment of metabolic syndrome SJT MOLECULAR RESEARCH, S.L. (ES) 2016-09-13 US disclosed
US-9440966-B2 Compounds for treatment of metabolic syndrome SJT MOLECULAR RESEARCH, S.L. (ES) 2016-09-13 US disclosed
US-20150051204-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME SJT MOLECULAR RESEARCH, S.L. (ES) 2015-02-19 US disclosed
US-20150051204-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME SJT MOLECULAR RESEARCH, S.L. (ES) 2015-02-19 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-20160340355-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME GPR119, GOT2, PC HDAC1 796/4885HDAC2 859/4885HDAC3 574/4885
US-20150051204-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME GPR119, GOT2, PC HDAC1 796/4885HDAC2 859/4885HDAC3 574/4885
US-10857136-B2 Compounds for use in the prevention and/or treatment of non-alcoholic fat liver disease and non-alcoholic steatohepatitis FABP1, LIPC, SLC10A1 HDAC1 839/4885HDAC2 1084/4885HDAC3 572/4885

“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.