SCHEMBL12967652

SCHEMBL12967652

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

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
HDAC1 Q13547 10/20 0.75
HDAC2 Q92769 9/20 0.75
HDAC3 O15379 8/20 0.75
HDAC4 P56524 8/20 0.75
HDAC7 Q8WUI4 8/20 0.75
HDAC10 Q969S8 8/20 0.75
HDAC11 Q96DB2 8/20 0.75
HDAC8 Q9BY41 8/20 0.75
HDAC6 Q9UBN7 8/20 0.75
HDAC9 Q9UKV0 8/20 0.75
HDAC5 Q9UQL6 8/20 0.75
MGAM O43451 5/20 0.66
MAPT P10636 1/20 0.60
NQO1 P15559 1/20 0.60

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
SCHEMBL23500758 0.92 KMT2A (0.74) MEN1KMT2AHDAC1HDAC2HDAC3
SCHEMBL23500588 0.90 KMT2A (0.74) MEN1KMT2AHDAC1HDAC2HDAC3
SCHEMBL12967988 0.89 HDAC1 (0.78) MEN1KMT2AHDAC1HDAC2HDAC3
SCHEMBL16489358 0.89 HDAC1 (0.81) MEN1KMT2AHDAC1HDAC2HDAC3
SCHEMBL2213731 0.88 HDAC1 (0.70) MEN1KMT2AHDAC1HDAC2HDAC3
SCHEMBL23500386 0.88 MEN1 (0.83) MEN1KMT2AHDAC1HDAC2HDAC3
Hydrochloric Acid SCHEMBL16470737 0.88 HDAC1 (0.80) MEN1KMT2AHDAC1HDAC2HDAC3
SCHEMBL18061333 0.88 HDAC1 (0.80) MEN1KMT2AHDAC1HDAC2HDAC3
SCHEMBL16489363 0.88 MEN1 (1.00) MEN1KMT2AMGAM
SCHEMBL23500227 0.88 KMT2A (0.71) MEN1KMT2AHDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021114864-A1 β-CARBOLINE CYCLOKETENE DERIVATIVE BASED ON DUAL RESPONSE TO PH AND GSH, AND USE THEREOF 南通大学 2021-06-17 WO disclosed
CN-110981870-A β -carboline-cycloalkenone derivative based on dual responses of pH and GSH and application thereof 南通大学 2020-04-10 CN disclosed
CN-105859713-B A kind of harmel alkali oxazole oxazoline derivates and its preparation method and application 华南农业大学 2017-08-08 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
WO-2012130912-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME SJT MOLECULAR RESEARCH, S.L. (ES) 2012-10-04 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-20160340355-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME GPR119, GOT2, PC MEN1 1156/4885KMT2A 2006/4885HDAC1 796/4885
US-20150051204-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME GPR119, GOT2, PC MEN1 1156/4885KMT2A 2006/4885HDAC1 796/4885

“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.