SCHEMBL4680994

SCHEMBL4680994

N#Cc1ccc(/C=C/C=C/C=O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.40
P4HB P07237 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MIF P14174 1/20 0.32
NFE2L2 Q16236 2/20 0.32
CYP11B1 P15538 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B2 P19099 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
HSD17B14 Q9BPX1 1/20 0.32
PIN1 Q13526 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
SCHEMBL4680996 1.00 RAD51 (0.40) RAD51P4HBCA1CA2MIF
SCHEMBL124629 0.79 RAD51 (0.42) RAD51P4HBCA1CA2MEN1
SCHEMBL29956507 0.79 RAD51 (0.42) RAD51P4HBCA1CA2MEN1
SCHEMBL7810204 0.78 NFE2L2 (0.53) NFE2L2KCNH2
SCHEMBL7810200 0.78 NFE2L2 (0.53) NFE2L2KCNH2
SCHEMBL6708260 0.74 MIF (0.61) RAD51P4HBCA1CA2MIF
SCHEMBL6708257 0.74 MIF (0.61) RAD51P4HBCA1CA2MIF
SCHEMBL17296534 0.73 RAD51 (0.41) RAD51P4HBCA1CA2MEN1
SCHEMBL17296535 0.73 RAD51 (0.41) RAD51P4HBCA1CA2MEN1
SCHEMBL5554957 0.73 MIF (0.44) RAD51P4HBMIFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010035766-A1 METHOD FOR PRODUCING TRIAZOLE DERIVATIVE 第一三共株式会社 (JP) 2010-04-01 WO 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
EP-1362856-A1 WATER-SOLUBLE TRIAZOLE FUNGICIDE Sankyo Company, Limited (JP) 2003-11-19 EP disclosed
EP-1083175-B1 Triazole derivatives having antifungal activity SANKYO CO (JP) 2003-07-02 EP disclosed
US-6392082-B1 CHEMICAL INTERMEDIATE SANKYO COMPANY, LIMITED (JP) 2002-05-21 US disclosed
US-6391903-B1 THERAPY FOR FUNGI INFECTIONS SANKYO COMPANY, LIMITED (JP) 2002-05-21 US disclosed
US-6337403-B1 CRYSTALLINE FORM OF A PHARMACEUTICAL COMPOSITION CONTAINING SAID DERIVATIVES WITH TREATING AND PREVENTING FUNGAL INFECTIONS USING BUTADIENE FLUORO BENZONITRILE GROUPS SANKYO COMPANY, LIMITED (JP) 2002-01-08 US disclosed
EP-1083175-A2 Triazole derivatives having antifungal activity Sankyo Company Limited (JP) 2001-03-14 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 RAD51 4821/4885P4HB 331/4885CA1 864/4885

“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.