SCHEMBL4897752

SCHEMBL4897752

CCC(=O)NOC(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.36
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
CYP2C9 P11712 1/20 0.34
TSHR P16473 3/20 0.33
NAAA Q02083 1/20 0.33
CTSD P07339 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
CCR6 P51684 1/20 0.31

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
SCHEMBL7797469 0.90 MGAM (0.42) KMT2AMEN1ALDH1A1MGAMGAA
SCHEMBL27447605 0.83 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MGAMGAA
SCHEMBL28020232 0.83 TSHR (0.42) KMT2AMEN1ALDH1A1MGAMGAA
SCHEMBL29071667 0.83 ALDH1A1 (0.32) KMT2AMEN1ALDH1A1MGAMGAA
SCHEMBL14829167 0.83 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MGAMGAA
SCHEMBL13268373 0.81
SCHEMBL23867785 0.80 ALDH1A1 (0.42) ALDH1A1MGAMGAASIMGAM2
SCHEMBL3732050 0.80 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1MGAMGAA
SCHEMBL30325298 0.80 PHF8 (0.42) ALDH1A1TSHRFFAR3KDM4ELMNA
SCHEMBL8999384 0.79

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
CN-112394617-A Photosensitive resin composition, method for producing patterned cured film, and patterned cured film 东京应化工业株式会社 2021-02-23 CN disclosed
CN-105732414-B The method of control of amide derivatives, the noxious organism control agent containing the amide derivatives and harmful organism 三井化学AGRO株式会社 2019-05-03 CN disclosed
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-08 US disclosed
CN-101535279-B Quinazoline based egfr inhibitors containing a zinc binding moiety CURIS INC 2015-05-20 CN disclosed
US-9024024-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-05-05 US disclosed
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-08-07 US disclosed
US-8604044-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-12-10 US disclosed
CN-101641338-A Multifunctional small molecules as antiproliferative agents CURIS INC US 2010-02-03 CN disclosed
CN-101535279-A Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS INC (US) 2009-09-16 CN disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080194578-A1 inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent CURIS, INC. 2008-08-14 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 (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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 KMT2A 567/4885MEN1 3710/4885ALDH1A1 2328/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 KMT2A 271/4885MEN1 4732/4885ALDH1A1 2459/4885
US-20080194578-A1 inhibitors of epidermal growth factor receptor tyrosine kinase and histone deacetylase; 2-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyacetamide; anticarcinogenic agent HDAC1, HDAC8, EGFR KMT2A 22/4885MEN1 4831/4885ALDH1A1 1911/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 KMT2A 280/4885MEN1 4711/4885ALDH1A1 2496/4885

“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.