SCHEMBL11040427

SCHEMBL11040427

Cc1cc(C#N)c(N)c(C#N)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GRM6 O15303 1/20 0.36
TSHR P16473 1/20 0.35
NEK2 P51955 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 3/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
LMNA P02545 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
XBP1 P17861 1/20 0.33
CISD2 Q8N5K1 1/20 0.33
XDH P47989 1/20 0.33
USP2 O75604 1/20 0.32
IKBKB O14920 1/20 0.32
ADRB2 P07550 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
SCHEMBL10851986 0.84 KDM4E (0.39) KDM4EGRM6TSHRALDH1A1MAPT
SCHEMBL11039790 0.83 KDM4E (0.41) KDM4EGRM6TSHRALDH1A1MAPT
SCHEMBL5211581 0.83 KDM4E (0.44) KDM4EGRM6TSHRNEK2DYRK1A
SCHEMBL25982008 0.83 TSHR (0.38) KDM4EGRM6TSHRALDH1A1MAPT
SCHEMBL10872733 0.80 TSHR (0.39) KDM4EGRM6TSHRNEK2DYRK1A
SCHEMBL18330714 0.79 KDM4E (0.41) KDM4EGRM6TSHRALDH1A1MAPT
SCHEMBL10860704 0.77 KMT2A (0.35) KDM4EGRM6TSHRALDH1A1HTT
SCHEMBL11410997 0.77 KDM4E (0.37) KDM4ETSHRALDH1A1MAPTHTT
SCHEMBL7152228 0.76 TSHR (0.39) KDM4EGRM6TSHRALDH1A1MAPT
SCHEMBL16122686 0.75 TSHR (0.35) KDM4ETSHRALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540350-B2 1-substituted, 4-(substituted phenoxymethyl)-1,2,3-triazole compounds with antifungal properties and methods for preparation thereof FDC LIMITED (IN) 2017-01-10 US disclosed
US-20160009692-A1 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF FDC LIMITED (IN) 2016-01-14 US disclosed
WO-2014132267-A1 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF FDC LIMITED (IN) 2014-09-04 WO disclosed
WO-2014073003-A1 SINGLE-STEP PROCESS FOR THE PREPARATION OF ARYL OLEFINS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 WO disclosed
US-4456668-A DYE BLEACH, TEXTILE DYES CIBA GEIGY AG (CH) 1984-06-26 US disclosed
EP-0040171-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE AS COLOURING AGENTS IN THE SILVER DYESTUFF BLEACHING PROCESS CIBA-GEIGY AG (CH) 1984-03-21 EP disclosed
US-4409143-A TEXTILES, PHOTOGRAPHY CIBA-GEIGY AG (CH) 1983-10-11 US disclosed
EP-0040171-A2 Azo dyestuffs, methods for their preparation and their use as colouring agents in the silver dyestuff bleaching process CIBA-GEIGY AG (CH) 1981-11-18 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-20160009692-A1 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF ERG28, CYP51A1, CYP2E1 KDM4E 1698/4885GRM6 4713/4885TSHR 4119/4885

“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.