SCHEMBL2213731

SCHEMBL2213731

COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(OC)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.70
HDAC2 Q92769 9/20 0.70
HDAC3 O15379 8/20 0.70
HDAC4 P56524 8/20 0.70
HDAC7 Q8WUI4 8/20 0.70
HDAC10 Q969S8 8/20 0.70
HDAC11 Q96DB2 8/20 0.70
HDAC8 Q9BY41 8/20 0.70
HDAC6 Q9UBN7 8/20 0.70
HDAC9 Q9UKV0 8/20 0.70
HDAC5 Q9UQL6 8/20 0.70
MAPT P10636 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
HPGD P15428 1/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MGAM O43451 4/20 0.64

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
SCHEMBL2214470 0.91 KDM4E (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL30607045 0.90 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL28562307 0.90 KDM4E (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL28017777 0.90 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2216529 0.90 KDM4E (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL23859789 0.90 KDM4E (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16489364 0.90 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL28373648 0.89 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL15426098 0.89 KMT2A (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL23859787 0.89 KDM4E (0.65) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US claimed
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
CN-109575020-A Beta-carboline derivatives and preparation method thereof and application in preparation of anti-tumor drugs 河北大学 2019-04-05 CN disclosed
EP-2691394-B1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME SJT MOLECULAR RES S L (ES) 2017-05-10 EP 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
US-8772311-B2 Harmine derivatives, intermediates used in their preparations, preparation processes and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2014-07-08 US disclosed
WO-2012130912-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME SJT MOLECULAR RESEARCH, S.L. (ES) 2012-10-04 WO disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US disclosed
EP-1634881-A1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2006-03-15 EP 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 (4 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
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 HDAC1 3027/4885HDAC2 1795/4885HDAC3 2792/4885

“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.