SCHEMBL3976841

SCHEMBL3976841

[CH2]c1ccc(Cl)cc1N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
FSCN1 Q16658 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CHKA P35790 3/20 0.33
CCR5 P51681 1/20 0.33
TP53 P04637 1/20 0.33
CHUK O15111 1/20 0.33
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAT2A P31153 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 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
SCHEMBL3789565 0.78 GAA (0.61) KMT2AGAAFSCN1KCNH2POLB
SCHEMBL1039636 0.76 GAA (0.54) KMT2AGAAFSCN1KCNH2POLB
SCHEMBL20119975 0.74 KMT2A (0.52) KMT2AGAAFSCN1KCNH2POLB
SCHEMBL5644465 0.74 ALDH1A1 (0.46) KMT2AMAPK1NPSR1ALDH1A1TP53
SCHEMBL25922252 0.73 KMT2A (0.50) KMT2AGAAFSCN1KCNH2POLB
SCHEMBL27650305 0.73 PSEN1 (0.35) KMT2AKCNH2ALDH1A1
SCHEMBL3222106 0.73 HSD17B10 (0.50) KMT2AGAAFSCN1MAPK1BLM
SCHEMBL3214529 0.73 GAA (0.67) KMT2AGAAFSCN1KCNH2POLB
SCHEMBL2616324 0.71 GAA (0.59) KMT2AGAAFSCN1KCNH2POLB
SCHEMBL8233668 0.70 KMT2A (0.57) KMT2AGAAFSCN1KCNH2POLB

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
CN-1942472-B Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP. (KR) 2012-02-15 CN disclosed
CN-1798746-B Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP 2010-09-08 CN disclosed
CN-100543022-C 2-furancarboxylic acid hydrazide compound and contain the pharmaceutical composition of this compound DAINIPPON PHARMACEUTICAL CO (JP) 2009-09-23 CN disclosed
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
CN-1942472-A Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP (KR) 2007-04-04 CN disclosed
CN-1798746-A Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2006-07-05 CN disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
CN-1628111-A 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 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 (1 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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 KMT2A 3459/4885GAA 1023/4885FSCN1 4359/4885

“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.