SCHEMBL4684975

SCHEMBL4684975

C=CCOC(=O)NCC(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CYP3A4 P08684 1/20 0.36
CASP1 P29466 7/20 0.35
TSHR P16473 2/20 0.34
ERN1 O75460 2/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
EPHX2 P34913 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4680857 0.82 CASP1 (0.45) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL248893 0.81
SCHEMBL19672930 0.80 MEN1 (0.38) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL2343808 0.80 MEN1 (0.38) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL20793437 0.80 MEN1 (0.38) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL9129459 0.80 MEN1 (0.38) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL10790638 0.80 MEN1 (0.38) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL9547232 0.80 MAPT (0.46) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL29229856 0.79 MEN1 (0.39) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL17688558 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100430390-C Water-soluble triazole antifungal agents SANKYO CO (JP) 2008-11-05 CN disclosed
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
US-20040198790-A1 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2004-10-07 US disclosed
CN-1503795-A Water-soluble triazole antifungal agents ������������ʽ���� 2004-06-09 CN disclosed
EP-1362856-A1 WATER-SOLUBLE TRIAZOLE FUNGICIDE Sankyo Company, Limited (JP) 2003-11-19 EP disclosed
US-4761408-A PENICILLIN DERIVATIVES, BACTERICIDES CIBA-GEIGY CORPORATION (US) 1988-08-02 US disclosed
US-4656165-A Aminomethyl penem compounds CIBA-GEIGY CORPORATION (US) 1987-04-07 US disclosed
EP-0181571-A1 Crystalline aminomethyl compound CIBA-GEIGY AG (CH) 1986-05-21 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-20040198790-A1 Water-soluble triazole fungicide ERG28, CYP51A1, XDH MEN1 2081/4885KMT2A 2939/4885MAPT 2802/4885

“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.